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
-4.9137 -0.9613 0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6464 0.2414 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7179 1.2453 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9599 0.8369 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3516 2.6534 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2938 0.6469 -0.0922 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1674 -0.1947 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1520 -1.4679 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9738 -2.1441 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2538 -1.6483 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 -0.3791 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9708 0.3548 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -2.5348 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6456 -2.3516 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5367 -1.2401 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 -1.3842 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7855 -0.3993 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4790 0.7881 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2231 0.9894 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2936 -0.0392 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4740 1.8030 0.3210 N 0 0 0 0 0 4 0 0 0 0 0 0
6.1929 2.8856 0.8918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7307 1.6391 -0.1891 O 0 0 0 0 0 1 0 0 0 0 0 0
-7.1754 -0.1931 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7731 1.5448 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7750 3.0044 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6199 2.7339 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2088 3.3098 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1197 1.6988 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 -1.8985 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9757 -3.1474 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.0553 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9113 1.3502 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1209 -3.6573 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2670 -3.3484 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 -2.3101 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7871 -0.5669 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9841 1.9280 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 0.1573 1.0969 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