4,5-dimethoxy-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-4,5-dimethoxy-benzoic acid Formula: C24H19N3O6 MolecularWeight: 445.42416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H19N3O6/c1-32-19-12-17(24(30)31)18(13-20(19)33-2)25-22(28)21-15-10-6-7-11-16(15)23(29)27(26-21)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,25,28)(H,30,31)