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

Systemtic Name: 1-cyclopropyl-7-[4-(diphosphonomethyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(diphosphonomethyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(diphosphonomethyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(diphosphonomethyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(diphosphonomethyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H22FN3O9P2 MolecularWeight: 505.327905

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(P(=O)(O)O)P(=O)(O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(P(=O)(O)O)P(=O)(O)O)F)C(=O)O

InChI

InChI=1S/C18H22FN3O9P2/c19-13-7-11-14(22(10-1-2-10)9-12(16(11)23)17(24)25)8-15(13)20-3-5-21(6-4-20)18(32(26,27)28)33(29,30)31/h7-10,18H,1-6H2,(H,24,25)(H2,26,27,28)(H2,29,30,31)