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
3.2541 1.7844 -0.5842 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9659 0.9772 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3205 1.4266 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1405 0.6710 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7357 2.7815 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4734 -0.2813 0.4305 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1771 -0.7262 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 0.0068 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -0.5607 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3343 -1.9100 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 -2.6781 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9323 -2.0867 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 -2.6036 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7776 -2.2830 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5178 -1.0581 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8155 -0.9424 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6317 0.1218 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2158 1.1510 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9815 1.0914 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -0.0095 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0725 2.2606 0.2902 N 0 0 0 0 0 4 0 0 0 0 0 0
-7.2038 2.3587 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6490 3.2852 1.1030 O 0 0 0 0 0 1 0 0 0 0 0 0
5.9467 -0.3095 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1414 1.0707 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 3.3979 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3287 3.2428 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3982 2.7339 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1465 -0.9042 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2410 1.0598 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8626 0.0625 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6271 -3.7626 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7527 -2.7340 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4086 -3.7259 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4857 -3.1872 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1514 -1.7480 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6247 0.2139 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6003 1.8620 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 -0.0487 0.8745 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