ethyl 1-cyclopropyl-7,8-bis(fluoranyl)-4-oxidanylidene-5-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7,8-bis(fluoranyl)-4-oxidanylidene-5-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7,8-difluoro-4-oxo-5-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7,8-difluoro-4-oxo-5-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7,8-difluoro-4-oxo-5-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7,8-difluoro-4-keto-5-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C16H12F5NO3 MolecularWeight: 361.263396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=CC(=C2F)F)C(F)(F)F)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=CC(=C2F)F)C(F)(F)F)C3CC3

InChI

InChI=1S/C16H12F5NO3/c1-2-25-15(24)8-6-22(7-3-4-7)13-11(14(8)23)9(16(19,20)21)5-10(17)12(13)18/h5-7H,2-4H2,1H3