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
-4.7789 -1.7166 -0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0602 -0.5733 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4801 -0.2123 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4105 -1.0764 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8407 1.1258 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0329 0.3099 -0.0414 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6218 0.0968 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 1.0394 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 0.8798 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -0.1755 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6632 -1.1142 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0397 -0.9779 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6045 -0.3904 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4895 0.4219 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9473 0.2311 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8018 1.1733 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1698 1.0182 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7588 -0.0747 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9166 -1.0000 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5198 -0.8419 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1687 -0.2354 -0.0142 N 0 0 0 0 0 4 0 0 0 0 0 0
8.9801 0.5671 0.4787 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6668 -1.3421 -0.6495 O 0 0 0 0 0 1 0 0 0 0 0 0
-7.1664 -2.0821 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4605 -0.8761 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5521 1.2350 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9171 1.2908 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3314 1.8987 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3391 1.2650 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 1.9059 0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2376 1.6446 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 -2.0038 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6722 -1.7395 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0027 -1.2861 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1097 1.3239 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3379 2.0162 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8396 1.7327 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3547 -1.8546 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9225 -1.6029 -0.9329 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