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
   -4.4857   -0.3950    1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671   -0.3516    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668   -0.6759   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7377   -0.6581   -1.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8941   -1.0537    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679    0.0139   -0.3065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412    0.3565    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    0.6303    1.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    0.9388    2.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    1.0042    1.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3443    0.7307   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906    0.4188   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.4588    1.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    1.2730    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    0.5465    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3347   -0.5413   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818   -1.1482   -0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -0.6898   -1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7995    0.3928   -0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0487    1.0014    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -1.3540   -2.3299 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.2007   -0.9658   -2.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575   -2.4419   -2.9948 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9217   -0.4031   -2.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6860   -0.9176   -2.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6853   -0.2842    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3253   -2.0100   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6455   -1.2836    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3100    0.0314   -1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038    0.6118    2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805    1.1488    3.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    0.8081   -0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    0.2048   -1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163    2.1475    2.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7187    1.8302    2.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.9987    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6889   -2.0228   -1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8012    0.7803   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4120    1.8671    0.8737 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