[[2-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxyethanoylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxyethanoylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)oxyacetyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinyl]-oxomethoxy]-1-oxoethyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxyacetyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-(1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carbonyl)oxyacetyl]amino]-phosphono-methyl]phosphonic acid Formula: C20H25FN4O10P2 MolecularWeight: 562.379225

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H25FN4O10P2/c21-14-7-12-15(8-16(14)24-5-3-22-4-6-24)25(11-1-2-11)9-13(18(12)27)19(28)35-10-17(26)23-20(36(29,30)31)37(32,33)34/h7-9,11,20,22H,1-6,10H2,(H,23,26)(H2,29,30,31)(H2,32,33,34)