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
-4.3224 2.3361 0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8709 1.2224 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3426 1.1624 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0071 2.2967 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0005 -0.1460 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0771 0.0622 0.1917 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6756 -0.0348 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0579 -1.2965 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6939 -1.4535 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1356 -0.3468 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4348 0.8888 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8353 1.0198 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5658 -0.5765 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4590 0.3751 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 0.1454 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4958 -1.0861 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8827 -1.2633 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7199 -0.1753 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1275 1.0659 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7721 1.2354 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1375 -0.3179 -0.3454 N 0 0 0 0 0 4 0 0 0 0 0 0
8.7166 -1.4140 -0.3046 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8941 0.8159 -0.4498 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.4908 3.2341 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0901 2.3451 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0393 0.0302 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4927 -0.7633 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0790 -0.6686 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6228 -0.8485 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7176 -2.1638 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 -2.4517 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 1.7630 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 2.0315 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9584 -1.6074 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1216 1.3980 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8542 -1.9702 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2734 -2.2706 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8049 1.9152 -0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3235 2.2350 -0.3272 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