ethyl 4-(2-iodanylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-iodanylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-iodophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-(2-iodophenyl)-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-iodophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-(2-iodophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H10F3IN2O2 MolecularWeight: 422.14108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2I)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2I)C(F)(F)F

InChI

InChI=1S/C14H10F3IN2O2/c1-2-22-12(21)9-7-19-13(14(15,16)17)20-11(9)8-5-3-4-6-10(8)18/h3-7H,2H2,1H3