methyl 4-[3-cyano-6,7-bis(fluoranyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]benzoate

Systemtic Name: methyl 4-[3-cyano-6,7-bis(fluoranyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]benzoate Openeye Name: methyl 4-(3-cyano-6,7-difluoro-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)benzoate CAS Name: 4-(3-cyano-6,7-difluoro-1-oxido-4-oxo-2-quinoxalin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-6,7-difluoro-1-oxido-4-oxoquinoxalin-4-ium-2-yl)benzoate Traditional Name: 4-(3-cyano-6,7-difluoro-4-keto-1-oxido-quinoxalin-4-ium-2-yl)benzoic acid methyl ester Formula: C17H9F2N3O4 MolecularWeight: 357.267866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])F)F)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])F)F)C#N

InChI

InChI=1S/C17H9F2N3O4/c1-26-17(23)10-4-2-9(3-5-10)16-15(8-20)21(24)13-6-11(18)12(19)7-14(13)22(16)25/h2-7H,1H3