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

Systemtic Name: 4-(3-cyanophenyl)-5-oxidanylidene-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate IUPAC Name: 4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-cyanophenyl)-5-keto-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Formula: C18H12F3N2O3- MolecularWeight: 361.29469

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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)/p-1