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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-8-methyl-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-8-methyl-7-(4-methyl-3-phenyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-8-methyl-7-(4-methyl-3-phenylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-4-keto-8-methyl-7-(4-methyl-3-phenyl-piperazino)-6-nitro-quinoline-3-carboxylic acid Formula: C28H24F2N4O5 MolecularWeight: 534.510766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(C(C3)C4=CC=CC=C4)C)[N+](=O)[O-])C(=O)C(=CN2C5=C(C=C(C=C5)F)F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(C(C3)C4=CC=CC=C4)C)[N+](=O)[O-])C(=O)C(=CN2C5=C(C=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C28H24F2N4O5/c1-16-25-19(27(35)20(28(36)37)14-33(25)22-9-8-18(29)12-21(22)30)13-23(34(38)39)26(16)32-11-10-31(2)24(15-32)17-6-4-3-5-7-17/h3-9,12-14,24H,10-11,15H2,1-2H3,(H,36,37)