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
4.4951 -1.3550 -0.6103 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9664 -0.2235 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4064 -0.0286 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9507 1.0787 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2700 -1.1382 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0160 0.7419 0.2111 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6145 0.5833 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8537 1.7312 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4792 1.7107 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2247 0.5444 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.5863 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8978 -0.5490 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6923 0.5776 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4427 -0.4820 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 -0.4196 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6058 0.7259 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9908 0.7515 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7169 -0.4003 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0078 -1.5503 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6362 -1.5848 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1387 -0.4214 0.4623 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.7303 0.6489 0.7098 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8353 -1.5643 0.2531 O 0 0 0 0 0 1 0 0 0 0 0 0
8.0438 1.2189 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3496 1.8995 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7060 -2.0899 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1520 -1.2812 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5980 -0.9259 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4388 1.6732 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3428 2.6761 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0968 2.6164 0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 -1.5197 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3890 -1.4836 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 1.5069 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9927 -1.4432 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1086 1.6613 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5349 1.6632 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5725 -2.4582 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0857 -2.5045 -0.1397 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