methyl 6,7-bis(fluoranyl)-4-oxidanidyl-1-oxidanylidene-3-(phenylmethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(fluoranyl)-4-oxidanidyl-1-oxidanylidene-3-(phenylmethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-benzyl-6,7-difluoro-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-difluoro-4-oxido-1-oxo-3-(phenylmethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6,7-difluoro-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-benzyl-6,7-difluoro-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C17H12F2N2O4 MolecularWeight: 346.284986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H12F2N2O4/c1-25-17(22)16-15(7-10-5-3-2-4-6-10)20(23)13-8-11(18)12(19)9-14(13)21(16)24/h2-6,8-9H,7H2,1H3