ethyl 2-[(3-chloranyl-4-methoxy-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-methoxy-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3-chloro-4-methoxy-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(3-chloro-4-methoxyanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(3-chloro-4-methoxy-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13ClF3N3O3 MolecularWeight: 375.73023

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClF3N3O3/c1-3-25-13(23)9-7-20-14(22-12(9)15(17,18)19)21-8-4-5-11(24-2)10(16)6-8/h4-7H,3H2,1-2H3,(H,20,21,22)