4-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoate

Systemtic Name: 4-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoate Openeye Name: 4-[(1-oxophthalazin-2-yl)methyl]benzoate CAS Name: 4-[(1-oxo-2-phthalazinyl)methyl]benzoate IUPAC Name: 4-[(1-oxophthalazin-2-yl)methyl]benzoate Traditional Name: 4-[(1-ketophthalazin-2-yl)methyl]benzoate Formula: C16H11N2O3- MolecularWeight: 279.27014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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