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
4.1677 -0.4041 -1.2679 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3824 0.7421 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7591 1.0757 -2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6989 0.1850 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1124 2.4183 -2.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2804 1.6271 -1.9690 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9914 1.1776 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8421 1.3352 -2.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3929 0.9263 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4558 0.3425 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6923 0.1876 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 0.5911 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7531 -0.1051 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9293 -0.5962 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2343 -1.0294 1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3889 -0.9783 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6220 -1.4057 1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 -1.8982 2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5656 -1.9520 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3583 -1.5371 2.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9624 -2.3519 3.2363 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.0306 -2.3165 2.6033 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9923 -2.8513 4.5099 O 0 0 0 0 0 1 0 0 0 0 0 0
7.7269 0.3704 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4562 -0.7820 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3773 2.7548 -3.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0465 3.1133 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1593 2.3870 -3.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4352 2.5395 -2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 1.7924 -3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 1.0351 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6740 -0.2697 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8023 0.4446 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -0.0034 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 -0.6935 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3619 -0.5968 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5199 -1.3445 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6833 -2.3424 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4566 -1.5877 3.5455 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