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
4.7455 -1.8186 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0385 -0.6405 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4279 -0.2188 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3742 -1.0753 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7542 1.1442 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0023 0.2798 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6239 0.0193 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 1.0633 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.9053 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1893 -0.3070 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6635 -1.3548 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0505 -1.1795 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 -0.5063 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4545 0.4684 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8891 0.2496 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4991 -0.9475 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9001 -1.0622 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7103 0.0159 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0814 1.1975 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7105 1.3313 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1275 -0.0826 0.0819 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.8027 0.9343 0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7964 -1.2319 -0.1981 O 0 0 0 0 0 1 0 0 0 0 0 0
7.1566 -2.0924 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4192 -0.8126 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8399 1.3474 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5860 1.3083 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1614 1.9283 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3362 1.2603 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1328 2.0421 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1985 1.7839 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -2.3106 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6024 -2.0755 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9617 -1.5164 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0951 1.4357 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8883 -1.8073 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3540 -2.0140 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7047 2.0636 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2892 2.2754 0.6346 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