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
-4.3459 -0.0180 -1.9244 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8382 -0.0794 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3110 -0.1266 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0234 -0.1030 -1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9304 -0.1989 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0196 -0.1015 0.3481 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6110 -0.0544 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8687 0.3143 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 0.3134 -0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1621 -0.0457 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6196 -0.4172 1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9781 -0.4259 1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 -0.0495 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3971 0.2816 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8656 0.2616 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4860 -0.1025 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8657 -0.1005 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6500 0.2595 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0229 0.6245 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6450 0.6308 -1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0646 0.2758 0.0335 N 0 0 0 0 0 4 0 0 0 0 0 0
8.7466 0.6083 -0.9519 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6710 -0.0952 1.2222 O 0 0 0 0 0 1 0 0 0 0 0 0
-8.1015 -0.1364 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5999 -0.0498 -2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3926 -0.9530 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9756 -0.5132 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7667 0.7737 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5148 -0.1562 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 0.6174 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0924 0.6119 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1345 -0.7038 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5561 -0.7191 2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 -0.3477 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0317 0.5924 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9266 -0.3959 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3721 -0.3904 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5850 0.9212 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1589 0.9151 -2.2014 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