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

Systemtic Name: [3-[3-carboxyoxy-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-yl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-quinolyl]-1-phosphono-propyl]phosphonic acid CAS Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-quinolinyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[3-carboxyoxy-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-1-yl]-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[3-carboxyoxy-6-fluoro-4-keto-7-(4-methylpiperazino)-1-quinolyl]-1-phosphono-propyl]phosphonic acid Formula: C18H24FN3O10P2 MolecularWeight: 523.343185

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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(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(P(=O)(O)O)P(=O)(O)O)F

InChI

InChI=1S/C18H24FN3O10P2/c1-20-4-6-21(7-5-20)14-9-13-11(8-12(14)19)17(23)15(32-18(24)25)10-22(13)3-2-16(33(26,27)28)34(29,30)31/h8-10,16H,2-7H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)