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
4.8390 1.3112 0.7910 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9820 0.0461 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3124 -0.5006 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3224 0.3113 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5307 -1.9560 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9006 -0.8258 0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5603 -0.4406 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 0.8319 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8615 1.1615 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0989 0.1733 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2600 -1.1330 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 -1.4271 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4967 0.5591 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5095 -0.2660 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8672 0.2020 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2242 1.4966 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 1.8529 -0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5898 0.9372 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2417 -0.3645 -0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9297 -0.7189 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9510 1.3184 -0.9779 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.3005 2.4669 -1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9143 0.3487 -0.8887 O 0 0 0 0 0 1 0 0 0 0 0 0
8.3459 -0.0384 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1825 1.3708 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5379 -2.1646 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7800 -2.5087 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5341 -2.2914 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1307 -1.8642 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8839 1.6523 -0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6043 2.1852 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 -1.9032 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 -2.4404 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6615 1.6280 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -1.3021 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4618 2.2539 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8204 2.8774 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0419 -1.0937 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6526 -1.7458 -0.0642 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