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
-4.6803 -1.6081 0.7923 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9728 -0.5442 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4125 -0.3247 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8914 0.7298 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4070 -1.3352 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9908 0.3295 -0.2514 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5950 0.1320 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7619 0.9579 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 0.8572 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2169 -0.0450 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6273 -0.8570 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 -0.7705 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -0.1682 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5469 0.5382 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9714 0.3888 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8162 1.1987 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1720 1.1127 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7393 0.1845 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9149 -0.6387 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5226 -0.5382 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1436 0.0708 0.1233 N 0 0 0 0 0 4 0 0 0 0 0 0
8.9156 0.7943 -0.5243 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6808 -0.8554 0.9722 O 0 0 0 0 0 1 0 0 0 0 0 0
-7.9538 0.8595 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2373 1.4802 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0054 -2.3499 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3650 -1.2271 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5298 -1.2692 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3094 1.2014 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1700 1.6979 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2450 1.5160 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2465 -1.6016 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6219 -1.4377 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 -0.9211 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 1.3032 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3962 1.9454 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8253 1.7743 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3220 -1.3676 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9345 -1.2126 1.2348 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