AC1LPE4Y

3-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Also Known As: 3-(4-{[5-(4,5-dimethyl-2-nitrophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid|3-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid|3-(4-{[5-(4,5-dimethyl-2-nitrophenyl)(2-furyl)]methylene}-3-methyl-5-oxo-1,2-d iazolinyl)benzoic acid|3-[(4Z)-4-{[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

Molecular Formula	C24H19N3O6
Molecular Weight	445.12738 g/mol
LogP	4.97594
Topological Polar Surface Area	126.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	445.12738
Monoisotopic Mass	445.12738
Heavy Atoms	33
Complexity	1382.5864

Chemical Identifiers

CAS Number	5838-07-3
SMILES	CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C