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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17N3O4/c27-21(24-14-15-10-12-16(13-11-15)23(29)30)20-18-8-4-5-9-19(18)22(28)26(25-20)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)(H,29,30)