AC1NT6UL

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

Also Known As: CBMicro_043635|BIM-0043732.P001|3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid|SR-01000225763-1|3-[4-(4,5-dimethoxy-2-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid|3-{(4Z)-4-[(4,5-Dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

Molecular Formula	C20H17N3O7
Molecular Weight	411.10666 g/mol
LogP	3.1163
Topological Polar Surface Area	131.57 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	411.10666
Monoisotopic Mass	411.10666
Heavy Atoms	30
Complexity	1121.3783

Chemical Identifiers

CAS Number	6041-90-3
SMILES	CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC(=C3)C(=O)O