1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-fluoranyl-6-methyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-fluoranyl-6-methyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-fluoro-6-methyl-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-fluoro-6-methyl-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-fluoro-6-methyl-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-fluoro-4-keto-6-methyl-8-nitro-quinoline-3-carboxylic acid Formula: C17H10F3N3O5 MolecularWeight: 393.27361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C17H10F3N3O5/c1-6-2-7-14(15(13(6)20)23(27)28)22(5-8(16(7)24)17(25)26)12-4-11(21)9(18)3-10(12)19/h2-5H,21H2,1H3,(H,25,26)