2-(6,7-dimethoxy-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate

Systemtic Name: 2-(6,7-dimethoxy-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate Openeye Name: 2-(6,7-dimethoxy-4-oxo-1H-cinnolin-2-ium-2-yl)acetate CAS Name: 2-(6,7-dimethoxy-4-oxo-1H-cinnolin-2-ium-2-yl)acetate IUPAC Name: 2-(6,7-dimethoxy-4-oxo-1H-cinnolin-2-ium-2-yl)acetate Traditional Name: 2-(4-keto-6,7-dimethoxy-1H-cinnolin-2-ium-2-yl)acetate Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C=[N+](N2)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C=[N+](N2)CC(=O)[O-])OC

InChI

InChI=1S/C12H12N2O5/c1-18-10-3-7-8(4-11(10)19-2)13-14(5-9(7)15)6-12(16)17/h3-5H,6H2,1-2H3,(H-,13,15,16,17)