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
-3.1387 1.8635 0.2641 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9874 0.9395 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4067 1.2191 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3236 0.2970 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8201 2.6568 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5442 -0.3914 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 -0.8232 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 -2.1925 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -2.7335 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4204 -1.9056 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1861 -0.5647 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1141 -0.0469 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 -2.5189 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9067 -2.1549 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6388 -0.9797 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1975 0.0500 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9330 1.1876 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2020 1.3504 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6820 0.3320 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9447 -0.7894 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9724 2.5135 0.9518 N 0 0 0 0 0 4 0 0 0 0 0 0
7.1191 2.6980 0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4358 3.4936 1.7475 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.1947 -0.7667 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3848 0.6091 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7609 2.9656 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8280 2.8426 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1242 3.3223 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2846 -1.1531 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7923 -2.8632 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 -3.8041 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9541 0.1474 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 1.0301 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6076 -3.5991 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6314 -3.0311 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 -0.0422 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5374 1.9768 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6845 0.4429 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3503 -1.5777 -1.0208 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