methyl 2-[(3,4-dichlorophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(3,4-dichloroanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C13H8Cl2F3N3O2 MolecularWeight: 366.12273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8Cl2F3N3O2/c1-23-11(22)7-5-19-12(21-10(7)13(16,17)18)20-6-2-3-8(14)9(15)4-6/h2-5H,1H3,(H,19,20,21)