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
-4.7242 1.7233 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0316 0.5089 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4614 0.1504 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9183 -1.0791 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4191 1.3186 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0125 -0.4478 -0.1399 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6061 -0.2204 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7545 -1.3314 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -1.1731 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1913 0.0591 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 1.1523 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 0.9932 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6123 0.3340 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 -0.5980 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9670 -0.3317 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8528 -1.4151 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 -1.2537 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7751 -0.0002 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9171 1.0729 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5249 0.9108 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1921 0.1867 0.3280 N 0 0 0 0 0 4 0 0 0 0 0 0
8.6839 1.3257 0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0650 -0.8595 0.2570 O 0 0 0 0 0 1 0 0 0 0 0 0
-6.2795 -1.9309 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9791 -1.2349 -0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0563 2.1650 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4133 0.9744 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4068 1.7054 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3674 -1.4633 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -2.3107 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 -2.0393 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 2.1595 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6260 1.8861 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9874 1.3591 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1769 -1.6327 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4236 -2.4078 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9085 -2.0912 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3516 2.0553 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8980 1.7799 0.3354 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