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
-4.7761 -1.4808 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0174 -0.4186 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4224 -0.0475 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3719 -0.8283 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8127 1.1945 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 0.4202 0.0172 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6388 0.1837 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 0.9662 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 0.7964 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1848 -0.1618 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6979 -0.9333 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -0.7646 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6106 -0.3724 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4899 0.3187 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9478 0.0911 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -0.8755 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8442 -1.0352 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6863 -0.2365 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1819 0.7268 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8171 0.8799 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0934 -0.4210 0.0318 N 0 0 0 0 0 4 0 0 0 0 0 0
8.8799 0.2824 -0.6299 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6536 -1.3834 0.8422 O 0 0 0 0 0 1 0 0 0 0 0 0
-8.4134 -0.5933 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1521 -1.7554 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2261 1.2351 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4752 2.0436 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8885 1.2063 -0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3674 1.2976 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1822 1.7241 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2883 1.4396 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 -1.6957 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 -1.4218 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 -1.1658 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 1.1049 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8489 -1.5183 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2497 -1.8127 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8457 1.3689 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 1.6418 -1.5589 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