3-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]benzoate

Systemtic Name: 3-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]benzoate Openeye Name: 3-[(1-oxo-2H-isoquinolin-3-yl)amino]benzoate CAS Name: 3-[(1-oxo-2H-isoquinolin-3-yl)amino]benzoate IUPAC Name: 3-[(1-oxo-2H-isoquinolin-3-yl)amino]benzoate Traditional Name: 3-[(1-keto-2H-isoquinolin-3-yl)amino]benzoate Formula: C16H11N2O3- MolecularWeight: 279.27014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

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