ethyl 1-(4-chloranyl-2-methyl-phenyl)-4-oxidanylidene-3H-cinnolin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-2-methyl-phenyl)-4-oxidanylidene-3H-cinnolin-1-ium-3-carboxylate Openeye Name: ethyl 1-(4-chloro-2-methyl-phenyl)-4-oxo-3H-cinnolin-1-ium-3-carboxylate CAS Name: 1-(4-chloro-2-methylphenyl)-4-oxo-3H-cinnolin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chloro-2-methylphenyl)-4-oxo-3H-cinnolin-1-ium-3-carboxylate Traditional Name: 1-(4-chloro-2-methyl-phenyl)-4-keto-3H-cinnolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H16ClN2O3+ MolecularWeight: 343.78424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)C2=CC=CC=C2[N+](=N1)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1C(=O)C2=CC=CC=C2[N+](=N1)C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C18H16ClN2O3/c1-3-24-18(23)16-17(22)13-6-4-5-7-15(13)21(20-16)14-9-8-12(19)10-11(14)2/h4-10,16H,3H2,1-2H3/q+1