3-methyl-4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4/c1-14-13-15(23(29)30)11-12-19(14)24-21(27)20-17-9-5-6-10-18(17)22(28)26(25-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)(H,29,30)