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
    4.3315   -1.7053    0.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8190   -0.7428    0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903   -0.6645    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0316   -1.5883    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9252    0.4370   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487    0.2641   -0.2777 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    0.2891   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700   -0.7615    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -0.6957    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    0.4801   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6425    1.5514   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9993    1.4833   -0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823    0.5830   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4119   -0.3650    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8659   -0.1670    0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4898    1.0013   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8856    1.1089   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6876    0.0553    0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0669   -1.1269    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6957   -1.2295    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1028    0.2052    0.3491 N   0  0  0  0  0  4  0  0  0  0  0  0
   -8.8734   -0.7089    0.6811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6520    1.4099   -0.0076 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.1061   -1.5483    0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858   -2.3981    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294    0.2806   -1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103    0.5110   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5020    1.4361   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5841    1.0253   -0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756   -1.7119    0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533   -1.5756    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323    2.4888   -0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    2.3358   -0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0003    1.5493   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867   -1.3209    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    1.8690   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3747    2.0355   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7152   -1.9412    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2046   -2.1484    0.9001 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