6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-8-nitro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-8-nitro-1-phenyl-quinoline-3-carboxylic acid Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O5/c1-23-7-9-24(10-8-23)18-16(22)11-14-17(19(18)26(30)31)25(13-5-3-2-4-6-13)12-15(20(14)27)21(28)29/h2-6,11-12H,7-10H2,1H3,(H,28,29)