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
-4.5872 0.3506 -1.0129 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9120 -0.0414 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3474 -0.1433 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8534 -0.5358 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3101 0.2379 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9588 -0.3759 1.0979 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5331 -0.3073 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 -0.8268 1.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3765 -0.7863 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2670 -0.2347 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 0.2709 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9130 0.2300 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6956 -0.2183 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 0.2755 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8304 0.2882 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6094 -0.2219 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0019 -0.1979 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6616 0.3395 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8758 0.8512 -1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5013 0.8322 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0806 0.3657 -0.6053 N 0 0 0 0 0 4 0 0 0 0 0 0
8.6025 0.8651 -1.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8935 -0.1285 0.3680 O 0 0 0 0 0 1 0 0 0 0 0 0
-7.9225 -0.5787 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2680 -0.8249 2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2918 0.4558 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3320 -0.5870 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8503 1.1295 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3463 -0.6970 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 -1.2592 2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 -1.2037 2.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0607 0.7123 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4481 0.6544 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 -0.6404 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 0.7074 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2016 -0.6658 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5959 -0.6048 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4150 1.2732 -2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9049 1.2402 -2.2823 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