6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-1-(4-nitrophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(4-nitrophenyl)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(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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