6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(4-phosphonooxyphenyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-(4-methylpiperazino)-1-(4-phosphonooxyphenyl)quinoline-3-carboxylic acid Formula: C21H20F2N3O7P MolecularWeight: 495.369967

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)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(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OP(=O)(O)O)F

InChI

InChI=1S/C21H20F2N3O7P/c1-24-6-8-25(9-7-24)19-16(22)10-14-18(17(19)23)26(11-15(20(14)27)21(28)29)12-2-4-13(5-3-12)33-34(30,31)32/h2-5,10-11H,6-9H2,1H3,(H,28,29)(H2,30,31,32)