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
4.4238 1.0080 2.2797 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7816 0.0081 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1790 -0.4354 1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0500 0.2126 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6104 -1.5931 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8752 -0.7191 0.7752 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5173 -0.4221 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8379 0.3701 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4789 0.6170 1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1911 0.0814 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5042 -0.7101 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8324 -0.9525 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5996 0.3977 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 -0.0487 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 0.2719 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4359 1.0569 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8007 1.3273 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4870 0.8128 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7660 0.0180 -2.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4350 -0.2502 -2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8477 1.0654 -1.7308 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.4940 1.7938 -0.9331 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5518 0.5612 -2.7943 O 0 0 0 0 0 1 0 0 0 0 0 0
6.7658 1.0815 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0947 -0.0576 2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2466 -1.5622 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7140 -1.6655 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2447 -2.5570 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2570 -1.5590 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 0.8153 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0218 1.2471 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 -1.1496 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 -1.5725 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1063 1.0434 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8519 -0.6878 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9768 1.4981 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3277 1.9543 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2432 -0.4262 -3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8965 -0.8737 -2.8646 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