ethyl 2-[(3-chlorophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(3-chloroanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H11ClF3N3O2 MolecularWeight: 345.70425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H11ClF3N3O2/c1-2-23-12(22)10-7-19-13(21-11(10)14(16,17)18)20-9-5-3-4-8(15)6-9/h3-7H,2H2,1H3,(H,19,20,21)