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

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(4-phosphonooxyphenyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Formula: C21H21FN3O7P MolecularWeight: 477.379504

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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)OP(=O)(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)OP(=O)(O)O)F

InChI

InChI=1S/C21H21FN3O7P/c1-23-6-8-24(9-7-23)19-11-18-15(10-17(19)22)20(26)16(21(27)28)12-25(18)13-2-4-14(5-3-13)32-33(29,30)31/h2-5,10-12H,6-9H2,1H3,(H,27,28)(H2,29,30,31)