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
4.7118 1.1649 1.5712 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0190 0.4194 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4578 0.2105 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3421 0.8025 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9303 -0.6571 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0449 -0.2009 -0.1719 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6515 -0.0611 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8130 -0.6160 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4392 -0.5361 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1904 0.0851 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6191 0.6328 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 0.5586 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6360 0.1903 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 -0.2880 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9352 -0.1641 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5581 0.4625 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9520 0.5525 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7629 0.0084 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1445 -0.6219 -1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7786 -0.7176 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1910 0.0864 -0.1676 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.8937 -0.4186 -1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8206 0.7089 0.8763 O 0 0 0 0 0 1 0 0 0 0 0 0
8.3874 0.6565 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0233 1.4357 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8657 -0.0452 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0089 -0.8741 -0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3248 -1.5741 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4366 -0.8207 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2904 -1.1179 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 -0.9874 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1521 1.1314 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5861 1.0038 1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0451 0.7138 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1130 -0.8069 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9491 0.9073 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4148 1.0506 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7649 -1.0565 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3063 -1.2179 -2.2564 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