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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)Cl)C(F)(F)F

InChI

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