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Home > Nitro Compounds > 89201-33-2
89201-33-2 | 2-Butenamide, 2-acetyl-4-(4-nitrophenyl)-4-oxo-N-phenyl-
CAS No: 89201-33-2 Catalog No: AG004573 MDL No:
Product Description
Catalog Number:
AG004573
Chemical Name:
2-Butenamide, 2-acetyl-4-(4-nitrophenyl)-4-oxo-N-phenyl-
CAS Number:
89201-33-2
Molecular Formula:
C18H14N2O5
Molecular Weight:
338.3142
IUPAC Name:
2-acetyl-4-(4-nitrophenyl)-4-oxo-N-phenylbut-2-enamide
InChI:
InChI=1S/C18H14N2O5/c1-12(21)16(18(23)19-14-5-3-2-4-6-14)11-17(22)13-7-9-15(10-8-13)20(24)25/h2-11H,1H3,(H,19,23)
InChI Key:
FHGPVKCNQBOZDF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=C(C(=O)Nc1ccccc1)C(=O)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.319g/mol
Monoisotopic Mass:
338.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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