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
   -4.9137   -0.9613    0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6464    0.2414    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7179    1.2453   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9599    0.8369    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3516    2.6534   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2938    0.6469   -0.0922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -0.1947    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -1.4679    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -2.1441    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -1.6483    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.3791   -0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.3548   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.5348   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6456   -2.3516   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367   -1.2401    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379   -1.3842   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7855   -0.3993   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.7881    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2231    0.9894    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -0.0392    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4740    1.8030    0.3210 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.1929    2.8856    0.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7307    1.6391   -0.1891 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.1754   -0.1931    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7731    1.5448   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7750    3.0044    0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6199    2.7339   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2088    3.3098   -0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1197    1.6988   -0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -1.8985    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -3.1474    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    0.0553   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113    1.3502   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -3.6573   -0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -3.3484   -0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -2.3101   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.5669   -0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841    1.9280    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371    0.1573    1.0969 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