[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C14H10F3N3O4 MolecularWeight: 341.24211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H10F3N3O4/c15-14(16,17)24-10-4-2-9(3-5-10)12(22)23-8-11(21)20-13-18-6-1-7-19-13/h1-7H,8H2,(H,18,19,20,21)