ethyl 4-[2-(4-methylphenyl)carbonylhydrazinyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-methylphenyl)carbonylhydrazinyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-methylbenzoyl)hydrazino]-2-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-[[(4-methylphenyl)-oxomethyl]hydrazo]-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylbenzoyl)hydrazinyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-(N'-p-toluoylhydrazino)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15F3N4O3 MolecularWeight: 368.31051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NNC(=O)C2=CC=C(C=C2)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NNC(=O)C2=CC=C(C=C2)C)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O3/c1-3-26-14(25)11-8-20-15(16(17,18)19)21-12(11)22-23-13(24)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,23,24)(H,20,21,22)