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

Systemtic Name: 2-cyanoethyl 4-(3-cyanophenyl)-5-oxidanylidene-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-cyanoethyl 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-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 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-carboxylic acid 2-cyanoethyl ester Formula: C21H16F3N3O3 MolecularWeight: 415.36525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3O3/c22-21(23,24)19-18(20(29)30-9-3-8-25)16(13-5-1-4-12(10-13)11-26)17-14(27-19)6-2-7-15(17)28/h1,4-5,10,16,27H,2-3,6-7,9H2