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
-2.1450 2.1121 -1.9971 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2435 1.4579 -1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4473 2.0245 -2.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5882 1.4140 -2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3611 3.3571 -3.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2215 0.2140 -1.2956 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1407 -0.4592 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3894 -1.5936 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3989 -2.3127 0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0350 -1.9736 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 -0.8648 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8266 -0.1277 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9738 -2.8401 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1631 -2.6766 1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0214 -1.5210 1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4203 -1.7199 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2545 -0.6635 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8225 0.6186 1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4653 0.8143 1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 -0.2416 1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7031 1.7078 2.0855 N 0 0 0 0 0 4 0 0 0 0 0 0
6.9263 1.5076 2.0386 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2039 2.9580 2.3205 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.4803 1.8988 -2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7884 0.4638 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4971 3.3167 -3.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3093 3.5923 -3.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1763 4.1063 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1694 -0.2910 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4468 -1.8908 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6062 -3.1829 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1891 -0.5329 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5630 0.7444 -1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 -3.9323 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6754 -3.6481 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7700 -2.7362 1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3253 -0.8544 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 1.7896 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -0.0348 1.8452 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