ethyl 7-bromanyl-1-cyclopropyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-cyclopropyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 7-bromo-1-cyclopropyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 7-bromo-1-cyclopropyl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-cyclopropyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 7-bromo-1-cyclopropyl-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C16H13BrF3NO3 MolecularWeight: 404.17853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C16H13BrF3NO3/c1-2-24-15(23)10-7-21(8-3-4-8)13-9(14(10)22)5-6-11(17)12(13)16(18,19)20/h5-8H,2-4H2,1H3