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
3.1844 0.7172 -2.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9071 1.1528 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3285 1.3711 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9889 1.1613 -2.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1099 1.8679 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2619 1.4344 -0.2427 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9229 1.2463 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3046 2.2521 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 2.1800 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 0.9901 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0732 0.0232 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 0.1082 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9849 0.8810 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0370 0.1863 1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5333 -0.9615 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5215 -1.7576 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1095 -2.8076 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7781 -3.1568 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8263 -2.3958 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2186 -1.3189 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3725 -4.2398 -0.9205 N 0 0 0 0 0 4 0 0 0 0 0 0
-5.0236 -4.5070 -2.0855 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3289 -4.9771 -0.2552 O 0 0 0 0 0 1 0 0 0 0 0 0
7.0202 1.3345 -2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4657 0.8131 -3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1230 1.1509 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1618 2.0426 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7578 2.8847 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9094 1.8428 0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 3.1830 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 2.9986 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5813 -0.9432 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 -0.7032 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 1.7582 2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8286 0.5762 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8118 -1.5133 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8834 -3.4356 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5217 -2.6108 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5016 -0.7365 -0.8117 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