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
-4.7633 0.9271 -1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0425 0.2316 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4509 0.0183 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3831 0.5815 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7336 -0.8155 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0307 -0.3656 0.3519 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6483 -0.2586 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7611 -0.5899 1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4134 -0.5221 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1612 -0.1380 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7540 0.1853 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1162 0.1287 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 -0.0562 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4840 -0.3451 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9175 -0.2729 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4743 0.1082 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8392 0.1805 -1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7010 -0.1464 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1781 -0.5425 1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8167 -0.5997 1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1149 -0.0829 -0.3999 N 0 0 0 0 0 4 0 0 0 0 0 0
8.5573 0.2740 -1.5058 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9393 -0.4137 0.6316 O 0 0 0 0 0 1 0 0 0 0 0 0
-7.1253 1.1748 -1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4129 0.4447 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8063 -0.7622 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0995 -0.3997 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3759 -1.8663 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3136 -0.9454 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1718 -0.8951 2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2568 -0.7889 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3437 0.4934 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7651 0.3880 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 0.2601 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1704 -0.6648 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8528 0.3744 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2601 0.4881 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8483 -0.8001 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4463 -0.9097 2.1474 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