[3-[3-carboxyoxy-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[3-carboxyoxy-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-quinolyl]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-quinolinyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-1-yl]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[3-carboxyoxy-6-fluoro-4-keto-7-(4-methylpiperazino)-1-quinolyl]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C18H24FN3O11P2 MolecularWeight: 539.342585

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)OC(=O)O)CCC(O)(P(=O)(O)O)P(=O)(O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)OC(=O)O)CCC(O)(P(=O)(O)O)P(=O)(O)O)F

InChI

InChI=1S/C18H24FN3O11P2/c1-20-4-6-21(7-5-20)14-9-13-11(8-12(14)19)16(23)15(33-17(24)25)10-22(13)3-2-18(26,34(27,28)29)35(30,31)32/h8-10,26H,2-7H2,1H3,(H,24,25)(H2,27,28,29)(H2,30,31,32)