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
-4.8370 0.1831 -1.4354 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9963 -0.5652 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3622 -1.0514 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6813 -1.8335 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4679 -0.6200 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8949 -0.9022 0.3485 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 -0.4872 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 0.4600 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7935 0.7839 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2014 0.1870 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -0.7644 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 -1.0958 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5861 0.5849 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 0.0472 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 0.4438 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9170 -0.1771 1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2527 0.1476 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6915 1.1037 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7360 1.7193 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3726 1.3982 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0734 1.4474 -0.0077 N 0 0 0 0 0 4 0 0 0 0 0 0
8.8943 0.8713 0.7081 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5221 2.3971 -0.8885 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.9394 -2.1746 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6968 -2.1477 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7636 0.4183 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3375 -1.3008 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1035 -0.6688 -2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1006 -1.5393 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8461 0.9859 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4850 1.5462 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5066 -1.2797 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8434 -1.8638 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 1.3609 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 -0.7126 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5660 -0.9355 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9938 -0.3519 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0403 2.4824 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6538 1.9034 -1.1999 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