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

Systemtic Name: 3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid CAS Name: 3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid IUPAC Name: 3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-3H-phthalazin-1-yl)methyl]benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3/c19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,18,19)(H,20,21)