1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H24FN3O9P2 MolecularWeight: 519.354485

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H24FN3O9P2/c20-14-7-12-15(23(11-1-2-11)9-13(18(12)24)19(25)26)8-16(14)22-5-3-21(4-6-22)10-17(33(27,28)29)34(30,31)32/h7-9,11,17H,1-6,10H2,(H,25,26)(H2,27,28,29)(H2,30,31,32)