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
    4.6439    1.4032    1.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9470    0.6836    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729    0.5494    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2495    1.1916    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406   -0.2936   -0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119   -0.0153   -0.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    0.0306    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439    0.5462    1.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    0.5627    1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.0395    0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4284   -0.4827   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109   -0.4840   -0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006    0.0789    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726   -0.3746   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044   -0.3334   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147   -0.8542   -1.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -0.8409   -1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7135   -0.3144    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8996    0.1938    1.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4972    0.1922    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1257   -0.3098    0.1213 N   0  0  0  0  0  4  0  0  0  0  0  0
   -8.8533   -0.7714   -0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7260    0.2146    1.2352 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.9428    1.8087    1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3077    1.1254    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228   -1.2769   -0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5524    0.2314   -1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9265   -0.4531   -0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126   -0.6050   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    0.9614    2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    0.9699    2.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1317   -0.8950   -1.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2526   -0.9065   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0093    0.5174    1.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468   -0.8031   -1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2255   -1.2624   -2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6914   -1.2537   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3474    0.6175    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    0.6119    1.7202 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