ethyl 6,7-bis(fluoranyl)-2-methyl-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-methyl-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylate Openeye Name: ethyl 6,7-difluoro-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylate CAS Name: 6,7-difluoro-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylate Traditional Name: 6,7-difluoro-4-keto-2-methyl-1H-cinnolin-2-ium-3-carboxylic acid ethyl ester Formula: C12H11F2N2O3+ MolecularWeight: 269.224146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](NC2=CC(=C(C=C2C1=O)F)F)C

Isomeric SMILES

CCOC(=O)C1=[N+](NC2=CC(=C(C=C2C1=O)F)F)C

InChI

InChI=1S/C12H10F2N2O3/c1-3-19-12(18)10-11(17)6-4-7(13)8(14)5-9(6)15-16(10)2/h4-5H,3H2,1-2H3/p+1