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
4.7312 2.0112 -0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0414 0.8146 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4690 0.4864 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3391 1.4514 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9462 -0.9062 0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0327 -0.1547 0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 0.0501 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9844 1.2355 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6261 1.3345 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 0.2387 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 -0.9836 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 -1.0780 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6485 0.3906 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 -0.6049 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 -0.4124 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5701 0.7743 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9535 0.9150 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7326 -0.2077 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1140 -1.4263 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7471 -1.5406 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 -0.1213 -0.0400 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.8363 -1.1579 0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7574 1.1075 -0.2002 O 0 0 0 0 0 1 0 0 0 0 0 0
7.0093 2.4659 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3891 1.2268 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2934 -1.6443 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9894 -0.9728 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8541 -1.1417 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3812 -1.1436 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5694 2.1441 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1285 2.3227 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1581 -1.9016 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2315 -2.0708 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 1.3853 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 -1.6017 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0150 1.6849 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4118 1.8901 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7027 -2.3285 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2903 -2.5309 0.3249 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