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
   -4.3459   -0.0180   -1.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8382   -0.0794   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3110   -0.1266   -0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0234   -0.1030   -1.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9304   -0.1989    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0196   -0.1015    0.3481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.0544    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687    0.3143   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    0.3134   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.0457    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196   -0.4172    1.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9781   -0.4259    1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -0.0495    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3971    0.2816   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656    0.2616   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.1025    0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657   -0.1005    1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.2595   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0229    0.6245   -1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.6308   -1.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646    0.2758    0.0335 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.7466    0.6083   -0.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6710   -0.0952    1.2222 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.1015   -0.1364   -1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999   -0.0498   -2.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3926   -0.9530    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9756   -0.5132    0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    0.7737    1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5148   -0.1562    1.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    0.6174   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924    0.6119   -1.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.7038    2.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561   -0.7191    2.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -0.3477    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    0.5924   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266   -0.3959    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3721   -0.3904    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850    0.9212   -2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    0.9151   -2.2014 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