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
4.6727 -0.0049 -1.3815 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5432 0.0507 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 0.1464 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7775 0.2110 1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0940 0.1743 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2811 0.0194 0.4643 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 -0.0681 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 0.0976 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 -0.0243 -2.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5626 -0.3261 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -0.4908 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8928 -0.3696 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 -0.5450 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0030 -0.4655 -1.8826 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7746 -0.1103 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3841 0.6683 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1845 0.9040 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4323 0.3467 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8779 -0.4481 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0620 -0.6636 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2572 0.5797 2.5666 N 0 0 0 0 0 4 0 0 0 0 0 0
-5.8597 1.2928 3.4894 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5082 0.0193 2.6383 O 0 0 0 0 0 1 0 0 0 0 0 0
4.8929 0.1974 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7283 0.2832 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7415 -0.5410 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5609 1.1569 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9925 -0.2403 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2634 0.0697 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 0.3472 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4973 0.1197 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -0.7736 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 -0.5055 1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5922 -0.8890 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6415 -0.7482 -2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4250 1.1765 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8361 1.5400 2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8668 -0.8891 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3984 -1.2979 -1.4712 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