3-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoic acid

Systemtic Name: 3-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoic acid Openeye Name: 3-[(1-oxophthalazin-2-yl)methyl]benzoic acid CAS Name: 3-[(1-oxo-2-phthalazinyl)methyl]benzoic acid IUPAC Name: 3-[(1-oxophthalazin-2-yl)methyl]benzoic acid Traditional Name: 3-[(1-ketophthalazin-2-yl)methyl]benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC=CC(=C3)C(=O)O

InChI

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