6-fluoranyl-4-oxidanylidene-1-(4-phosphonooxyphenyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-(4-phosphonooxyphenyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-phosphonooxyphenyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C20H19FN3O7P MolecularWeight: 463.352924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OP(=O)(O)O)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OP(=O)(O)O)F

InChI

InChI=1S/C20H19FN3O7P/c21-16-9-14-17(10-18(16)23-7-5-22-6-8-23)24(11-15(19(14)25)20(26)27)12-1-3-13(4-2-12)31-32(28,29)30/h1-4,9-11,22H,5-8H2,(H,26,27)(H2,28,29,30)