Monomers

2-methyl-N-[4-[2-(4-nitrophenyl)ethenyl]phenyl]prop-2-enamide

Identifiers

IUPAC name
2-methyl-N-[4-[2-(4-nitrophenyl)ethenyl]phenyl]prop-2-enamide
InchI
InChI=1S/C18H16N2O3/c1-13(2)18(21)19-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)20(22)23/h3-12H,1H2,2H3,(H,19,21)
InchI Key
CYEBZJAFEFBFCQ-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C18H16N2O3
Heavy Atom Count
23
Molecular Weight
308.337
Exact Molecular Weight
308.1161
Valence Electrons
116
Radical Electrons
0
tPSA
72.24
MolLogP
4.2798
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.7773   -0.0654   -1.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -0.1352   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300   -0.1871   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3642   -0.1581   -1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783   -0.2704    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.1650    0.2582 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -0.1286    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833    0.0541    1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.0887    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -0.0556   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638   -0.2369   -1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692   -0.2735   -1.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.0215   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809    0.1462    0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9206    0.1753    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667    0.3616    1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1314    0.3979    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7275    0.2525    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8947    0.0706   -1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5056    0.0298   -0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1477    0.2876   -0.1308 N   0  0  0  0  0  4  0  0  0  0  0  0
   -8.6930    0.1577   -1.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9029    0.4732    0.9966 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.0954   -0.0980   -2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3999   -0.1950   -0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3158    0.5635    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8670   -0.2114    1.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624   -1.2356    1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473   -0.2239    1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    0.1725    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756    0.2320    1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.3621   -2.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665   -0.4272   -2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.1483   -1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    0.2715    1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3364    0.4811    2.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7729    0.5449    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3406   -0.0451   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101   -0.1169   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 12  7  1  0
 20 15  1  0
  4 24  1  0
  4 25  1  0
  5 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  0
M  CHG  2  21   1  23  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers