7-[4-(diphosphonomethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(diphosphonomethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(diphosphonomethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(diphosphonomethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(diphosphonomethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(diphosphonomethyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H22FN3O9P2 MolecularWeight: 493.317205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(P(=O)(O)O)P(=O)(O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(P(=O)(O)O)P(=O)(O)O)F)C(=O)O

InChI

InChI=1S/C17H22FN3O9P2/c1-2-19-9-11(16(23)24)15(22)10-7-12(18)14(8-13(10)19)20-3-5-21(6-4-20)17(31(25,26)27)32(28,29)30/h7-9,17H,2-6H2,1H3,(H,23,24)(H2,25,26,27)(H2,28,29,30)