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
-4.5720 1.8559 -0.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9135 0.7088 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3285 0.4122 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8070 -0.7320 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2995 1.4834 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9712 -0.2562 0.0648 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5678 -0.0315 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9742 1.2073 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5952 1.3044 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2157 0.1770 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3933 -1.0402 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 -1.1900 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6589 0.3123 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4657 -0.7145 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 -0.5466 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4902 0.6728 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8901 0.8170 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6350 -0.3273 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0750 -1.5793 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7012 -1.6709 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0476 -0.1805 -0.4404 N 0 0 0 0 0 4 0 0 0 0 0 0
8.6133 0.9282 -0.4802 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8250 -1.2923 -0.4601 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.1971 -1.5443 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9018 -0.9054 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0535 2.3663 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3353 1.1302 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0475 1.6997 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2879 -1.2116 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5833 2.1179 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1257 2.2821 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -1.9696 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2191 -2.1763 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 1.3437 -0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0409 -1.7298 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9244 1.5921 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3393 1.8095 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7133 -2.4663 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2212 -2.6561 -0.2379 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