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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-methyl-6-nitro-4-oxidanylidene-7-(4-piperidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-[4-(1-piperidyl)-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-[4-(1-piperidinyl)-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxo-7-(4-piperidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-4-keto-8-methyl-6-nitro-7-(4-piperidinopiperidino)quinoline-3-carboxylic acid Formula: C27H28F2N4O5 MolecularWeight: 526.531826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C(=O)C(=CN2C5=C(C=C(C=C5)F)F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C(=O)C(=CN2C5=C(C=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C27H28F2N4O5/c1-16-24-19(26(34)20(27(35)36)15-32(24)22-6-5-17(28)13-21(22)29)14-23(33(37)38)25(16)31-11-7-18(8-12-31)30-9-3-2-4-10-30/h5-6,13-15,18H,2-4,7-12H2,1H3,(H,35,36)