ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6,8-difluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(trifluoromethylsulfonyloxy)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6,8-difluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-triflyloxy-quinoline-3-carboxylic acid ethyl ester Formula: C16H12F5NO6S MolecularWeight: 441.326596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)OS(=O)(=O)C(F)(F)F)F)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)OS(=O)(=O)C(F)(F)F)F)C3CC3

InChI

InChI=1S/C16H12F5NO6S/c1-2-27-15(24)9-6-22(7-3-4-7)12-8(13(9)23)5-10(17)14(11(12)18)28-29(25,26)16(19,20)21/h5-7H,2-4H2,1H3