[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C24H15ClF3N3O3 MolecularWeight: 485.84241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C24H15ClF3N3O3/c25-14-8-9-19(17(11-14)24(26,27)28)31-22(32)13-34-23(33)16-12-21(20-7-3-4-10-29-20)30-18-6-2-1-5-15(16)18/h1-12H,13H2,(H,31,32)