4-(3-cyanophenyl)-5-oxidanylidene-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-5-oxidanylidene-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-5-keto-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid Formula: C18H13F3N2O3 MolecularWeight: 362.30263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2)C(F)(F)F)C(=O)O)C3=CC=CC(=C3)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2)C(F)(F)F)C(=O)O)C3=CC=CC(=C3)C#N)C(=O)C1

InChI

InChI=1S/C18H13F3N2O3/c19-18(20,21)16-15(17(25)26)13(10-4-1-3-9(7-10)8-22)14-11(23-16)5-2-6-12(14)24/h1,3-4,7,13,23H,2,5-6H2,(H,25,26)