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
4.7325 1.8637 -0.4957 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9928 0.6606 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4230 0.3180 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3765 1.2178 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8038 -1.0897 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0471 -0.3583 -0.1621 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6554 -0.1155 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0672 1.0118 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6771 1.1716 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1822 0.2162 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3897 -0.9166 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7530 -1.0759 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 0.4021 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4756 -0.4638 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9198 -0.2515 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4979 0.8855 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8881 1.0025 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7026 0.0119 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1471 -1.1280 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7753 -1.2255 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1253 0.1391 0.0478 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.8597 -0.7597 0.5032 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6629 1.2794 -0.4733 O 0 0 0 0 0 1 0 0 0 0 0 0
7.0839 2.2437 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4252 0.9960 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4336 -1.3501 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2186 -1.7596 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8770 -1.2739 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3328 -1.3710 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 1.8093 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3151 2.1130 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2006 -1.7462 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -1.9891 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 1.3529 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 -1.3928 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8995 1.6822 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3454 1.8973 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8005 -1.8930 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3214 -2.1145 0.9716 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