3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoate Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)benzoate Formula: C16H10NO4- MolecularWeight: 280.2549

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C16H11NO4/c18-14-9-10-4-1-2-7-13(10)15(19)17(14)12-6-3-5-11(8-12)16(20)21/h1-8H,9H2,(H,20,21)/p-1