(phenylmethyl) 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Openeye Name: benzyl 1-cyclopropyl-6-fluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(trifluoromethylsulfonyloxy)-3-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-cyclopropyl-6-fluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-triflyloxy-quinoline-3-carboxylic acid benzyl ester Formula: C21H15F4NO6S MolecularWeight: 485.405513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)OS(=O)(=O)C(F)(F)F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)OS(=O)(=O)C(F)(F)F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H15F4NO6S/c22-16-8-14-17(9-18(16)32-33(29,30)21(23,24)25)26(13-6-7-13)10-15(19(14)27)20(28)31-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2