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

Systemtic Name: 7-[4-[bis(diethoxyphosphoryl)methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[bis(diethoxyphosphoryl)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[bis(diethoxyphosphoryl)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[bis(diethoxyphosphoryl)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[bis(diethoxyphosphoryl)methyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H38FN3O9P2 MolecularWeight: 605.529845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38FN3O9P2/c1-6-27-17-19(24(31)32)23(30)18-15-20(26)22(16-21(18)27)28-11-13-29(14-12-28)25(39(33,35-7-2)36-8-3)40(34,37-9-4)38-10-5/h15-17,25H,6-14H2,1-5H3,(H,31,32)