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

Systemtic Name: ethyl 2-[(4-fluorophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(4-fluoroanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H11F4N3O2 MolecularWeight: 329.249653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F4N3O2/c1-2-23-12(22)10-7-19-13(21-11(10)14(16,17)18)20-9-5-3-8(15)4-6-9/h3-7H,2H2,1H3,(H,19,20,21)