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
4.7850 1.4946 0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2716 2.6042 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 3.6963 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7620 4.8893 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6481 3.4449 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 2.7095 0.4628 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9247 1.6819 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6170 1.9149 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3295 0.9489 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0676 -0.2136 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2421 -0.4124 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 0.5357 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 -1.2201 -0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3068 -1.0772 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3471 -2.0952 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6538 -1.8878 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6541 -2.8170 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3783 -3.9974 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0860 -4.2192 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0783 -3.2725 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3938 -4.9548 -1.1284 N 0 0 0 0 0 4 0 0 0 0 0 0
-6.0995 -6.0133 -1.7108 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6942 -4.7707 -0.7359 O 0 0 0 0 0 1 0 0 0 0 0 0
5.4672 5.6857 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 5.1235 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0205 3.5236 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7841 2.4033 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2114 4.1593 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4689 3.6802 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3562 2.8183 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3353 1.1910 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5486 -1.3149 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 0.3336 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 -2.1158 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6495 -0.1897 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8945 -0.9664 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6759 -2.6473 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8470 -5.1535 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0869 -3.5001 -1.4367 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