2-[(E)-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[(4-oxo-3H-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[(4-oxo-3H-phthalazine-1-carbonyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[(4-keto-3H-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H12N4O4/c22-15-13-8-4-3-7-12(13)14(19-21-15)16(23)20-18-9-10-5-1-2-6-11(10)17(24)25/h1-9H,(H,20,23)(H,21,22)(H,24,25)/b18-9+