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
4.7773 -0.0654 -1.9332 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0301 -0.1352 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4300 -0.1871 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3642 -0.1581 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7783 -0.2704 1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0140 -0.1650 0.2582 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6362 -0.1286 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7833 0.0541 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.0887 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 -0.0556 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.2369 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0692 -0.2735 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5875 -0.0215 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4809 0.1462 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9206 0.1753 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7667 0.3616 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1314 0.3979 1.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7275 0.2525 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8947 0.0706 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5056 0.0298 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1477 0.2876 -0.1308 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.6930 0.1577 -1.2369 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9029 0.4732 0.9966 O 0 0 0 0 0 1 0 0 0 0 0 0
7.0954 -0.0980 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3999 -0.1950 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3158 0.5635 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8670 -0.2114 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3624 -1.2356 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3473 -0.2239 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 0.1725 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1756 0.2320 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3103 -0.3621 -2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6665 -0.4272 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 -0.1483 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 0.2715 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 0.4811 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7729 0.5449 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3406 -0.0451 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9101 -0.1169 -1.8226 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