7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[4-(2,2-diphosphonoethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[4-(2,2-diphosphonoethyl)piperazino]-1-ethyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C17H23FN4O9P2 MolecularWeight: 508.331845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN4O9P2/c1-2-21-8-11(17(24)25)14(23)10-7-12(18)16(19-15(10)21)22-5-3-20(4-6-22)9-13(32(26,27)28)33(29,30)31/h7-8,13H,2-6,9H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)