ethyl 2-(8-chloranyl-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate chloride

Systemtic Name: ethyl 2-(8-chloranyl-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoate chloride Openeye Name: ethyl 2-(8-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetate chloride CAS Name: 2-(8-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(8-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetate chloride Traditional Name: 2-(8-chloro-4-keto-1H-cinnolin-2-ium-2-yl)acetic acid ethyl ester chloride Formula: C12H12Cl2N2O3 MolecularWeight: 303.14128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC(=O)C2=C(N1)C(=CC=C2)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC(=O)C2=C(N1)C(=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C12H11ClN2O3.ClH/c1-2-18-11(17)7-15-6-10(16)8-4-3-5-9(13)12(8)14-15;/h3-6H,2,7H2,1H3;1H