ethyl 2-(4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate chloride

Systemtic Name: ethyl 2-(4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate chloride Openeye Name: ethyl 2-(4-oxo-1H-cinnolin-2-ium-2-yl)acetate chloride CAS Name: 2-(4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(4-oxo-1H-cinnolin-2-ium-2-yl)acetate chloride Traditional Name: 2-(4-keto-1H-cinnolin-2-ium-2-yl)acetic acid ethyl ester chloride Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC(=O)C2=CC=CC=C2N1.[Cl-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC(=O)C2=CC=CC=C2N1.[Cl-]

InChI

InChI=1S/C12H12N2O3.ClH/c1-2-17-12(16)8-14-7-11(15)9-5-3-4-6-10(9)13-14;/h3-7H,2,8H2,1H3;1H