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
4.4867 1.5805 -0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9305 0.3996 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3488 0.2241 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9260 -0.9435 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2336 1.4465 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0288 -0.6680 0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 -0.5931 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8620 -1.7752 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4937 -1.7758 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2515 -0.6097 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4579 0.5479 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8692 0.5517 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7160 -0.6993 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4464 0.3631 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8955 0.3389 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6172 1.5419 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9784 1.4842 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6691 0.2967 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9737 -0.8639 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5753 -0.8431 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0890 0.2927 0.0015 N 0 0 0 0 0 4 0 0 0 0 0 0
-8.7065 1.3521 0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7540 -0.8890 -0.1408 O 0 0 0 0 0 1 0 0 0 0 0 0
6.3456 -1.8391 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0174 -1.0588 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0472 1.9930 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9793 2.1462 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3015 1.1690 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4399 -1.6500 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3942 -2.7169 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 -2.7080 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0540 1.4977 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 1.5065 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1945 -1.6618 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9838 1.3502 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0751 2.4680 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5413 2.4067 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4433 -1.8432 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0843 -1.8191 -0.2051 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