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
4.4918 -0.6368 1.8373 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9370 -0.2947 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3913 -0.2534 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2390 -0.5700 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9094 0.1464 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 0.0499 -0.3358 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6382 0.0587 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9333 0.4259 -1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5626 0.4736 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1691 0.1341 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 -0.2304 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9160 -0.2688 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6193 0.2024 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4392 -0.0853 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8916 -0.0225 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6821 -0.3470 1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0583 -0.2983 1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7028 0.0726 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9448 0.3978 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5485 0.3468 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1313 0.1354 0.2666 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.6981 0.4752 -0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8565 -0.1983 1.3886 O 0 0 0 0 0 1 0 0 0 0 0 0
6.9229 -0.8729 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3017 -0.5377 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5533 -0.6217 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9918 0.2627 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4159 1.1010 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5306 0.3252 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4570 0.7047 -2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 0.7727 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -0.4970 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3238 -0.5699 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0611 0.5100 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9914 -0.3917 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1904 -0.6453 2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6610 -0.5574 2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4317 0.6912 -1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0339 0.6128 -1.5588 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