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
4.3421 -1.9644 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8801 -0.9207 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3527 -0.8023 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0805 -1.8157 0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9892 0.4330 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0796 0.1664 -0.2394 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6675 0.1842 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0528 1.2160 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 1.3367 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1597 0.4472 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4613 -0.5490 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8566 -0.6839 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 0.6009 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4575 -0.1859 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9069 -0.0242 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5078 0.9878 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9054 1.0918 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7259 0.2061 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1232 -0.8080 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7482 -0.9095 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1481 0.3472 -0.0389 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.7160 1.2360 -0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9195 -0.5746 0.6456 O 0 0 0 0 0 1 0 0 0 0 0 0
6.6053 -2.7050 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1496 -1.7554 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0742 0.3608 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5940 1.2813 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7241 0.6538 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5953 1.0471 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7018 1.9204 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2415 2.1459 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1362 -1.2750 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2686 -1.4917 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 1.4393 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 -1.0265 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9186 1.7207 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3790 1.8953 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7525 -1.5149 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2669 -1.7113 1.3294 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