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
-3.3714 2.5068 1.9030 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3299 1.6942 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5478 1.6372 2.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7130 1.0987 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5389 2.6779 3.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9534 0.8483 0.4647 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6324 0.8917 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 1.9539 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4616 1.6961 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0589 0.4530 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -0.6564 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0864 -0.4005 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5103 0.2133 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0066 -0.9758 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4194 -1.3275 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7574 -2.6557 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0536 -3.0706 -1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0911 -2.1572 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7555 -0.8511 -1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4294 -0.4189 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4477 -2.5994 -1.4512 N 0 0 0 0 0 4 0 0 0 0 0 0
8.4299 -1.8579 -1.3679 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6632 -3.9295 -1.6944 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.9844 0.3155 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5117 1.3157 2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6194 1.9936 4.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5637 3.1224 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3511 3.3414 3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6768 0.2313 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2124 2.9427 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 2.5783 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 -1.6555 -0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7517 -1.2540 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1969 1.0540 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2834 -1.8111 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9569 -3.3622 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3328 -4.1093 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5316 -0.1151 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2268 0.6417 -0.7569 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