[[2-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyethanoyl-methyl-amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyethanoyl-methyl-amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]oxyacetyl]-methyl-amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethoxy]-1-oxoethyl]-methylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxyacetyl]-methylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-[1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carbonyl]oxyacetyl]-methyl-amino]-phosphono-methyl]phosphonic acid Formula: C23H31FN4O11P2 MolecularWeight: 620.458365

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)N(C)C(P(=O)(O)O)P(=O)(O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)N(C)C(P(=O)(O)O)P(=O)(O)O)C4CC4)F

InChI

InChI=1S/C23H31FN4O11P2/c1-12-9-27(7-6-25-12)19-16(24)8-14-18(21(19)38-3)28(13-4-5-13)10-15(20(14)30)22(31)39-11-17(29)26(2)23(40(32,33)34)41(35,36)37/h8,10,12-13,23,25H,4-7,9,11H2,1-3H3,(H2,32,33,34)(H2,35,36,37)