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
4.6385 1.8634 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9655 0.7079 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3907 0.3938 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9028 -0.7773 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3318 1.4715 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9971 -0.2340 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 -0.0074 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9815 1.1942 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5918 1.3027 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2070 0.2026 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -1.0028 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7820 -1.1120 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6366 0.3191 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 -0.6647 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9288 -0.5219 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7217 -1.6365 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0983 -1.5724 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7519 -0.3602 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9699 0.7562 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5715 0.6859 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1698 -0.2948 0.7719 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.7308 0.8085 0.6541 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9621 -1.3947 0.9644 O 0 0 0 0 0 1 0 0 0 0 0 0
6.3000 -1.5880 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.9360 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1696 2.3299 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3790 1.1173 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0615 1.8123 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3658 -1.1808 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 2.1092 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 2.3098 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -1.9165 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2565 -2.0668 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0541 1.3165 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 -1.6723 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2309 -2.5960 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7068 -2.4673 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4866 1.7022 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0134 1.5994 0.2849 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