6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C21H18F2N4O5 MolecularWeight: 444.388226

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

InChI

InChI=1S/C21H18F2N4O5/c1-24-4-6-25(7-5-24)19-10-18-13(9-16(19)23)20(28)14(21(29)30)11-26(18)17-3-2-12(27(31)32)8-15(17)22/h2-3,8-11H,4-7H2,1H3,(H,29,30)