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
2.9631 -1.7010 -1.2956 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8165 -1.0771 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2078 -1.5293 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5430 -2.5554 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2568 -0.7888 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4529 0.0127 0.1446 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 0.5404 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9954 1.5062 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7805 2.0702 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 1.7343 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 0.7959 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0759 0.2046 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5842 2.4468 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8116 2.2036 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5208 1.0662 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7798 1.2491 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5532 0.2014 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1594 -1.0951 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9408 -1.3167 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1586 -0.2603 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9947 -2.1675 -0.9554 N 0 0 0 0 0 4 0 0 0 0 0 0
-7.0890 -1.9009 -1.4805 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6367 -3.4641 -0.8055 O 0 0 0 0 0 1 0 0 0 0 0 0
4.8218 -3.1179 -2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5724 -2.8712 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2652 -1.0626 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0371 -0.9021 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1105 0.2935 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4793 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8871 1.7809 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6541 2.8108 2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.4674 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1604 -0.5262 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4232 3.5086 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5388 3.0563 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0813 2.2895 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5257 0.4128 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5665 -2.3249 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 -0.4696 0.9652 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