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
4.3315 -1.7053 0.9876 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8190 -0.7428 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2903 -0.6645 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0316 -1.5883 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9252 0.4370 -0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0487 0.2641 -0.2777 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 0.2891 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8700 -0.7615 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4777 -0.6957 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1390 0.4801 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6425 1.5514 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9993 1.4833 -0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 0.5830 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4119 -0.3650 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8659 -0.1670 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4898 1.0013 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8856 1.1089 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6876 0.0553 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0669 -1.1269 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6957 -1.2295 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1028 0.2052 0.3491 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.8734 -0.7089 0.6811 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6520 1.4099 -0.0076 O 0 0 0 0 0 1 0 0 0 0 0 0
8.1061 -1.5483 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 -2.3981 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8294 0.2806 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0103 0.5110 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5020 1.4361 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5841 1.0253 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2756 -1.7119 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0533 -1.5756 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1323 2.4888 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 2.3358 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0003 1.5493 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9867 -1.3209 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.8690 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3747 2.0355 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7152 -1.9412 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2046 -2.1484 0.9001 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