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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-methyl-7-(methylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-8-methyl-7-(methylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-methyl-7-(methylamino)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-methyl-7-(methylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-4-keto-8-methyl-7-(methylamino)-6-nitro-quinoline-3-carboxylic acid Formula: C18H14F2N4O5 MolecularWeight: 404.324366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1NC)[N+](=O)[O-])C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1NC)[N+](=O)[O-])C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O

InChI

InChI=1S/C18H14F2N4O5/c1-7-15(22-2)14(24(28)29)3-8-16(7)23(6-9(17(8)25)18(26)27)13-5-12(21)10(19)4-11(13)20/h3-6,22H,21H2,1-2H3,(H,26,27)