methyl [5-oxidanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate

Systemtic Name: methyl [5-oxidanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate Openeye Name: methyl [5-oxo-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate CAS Name: carbonic acid methyl [5-oxo-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] ester IUPAC Name: methyl [5-oxo-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate Traditional Name: carbonic acid [5-keto-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] methyl ester Formula: C9H6F3N3O4 MolecularWeight: 277.15685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CNN2C1=NC(=O)C=C2C(F)(F)F

Isomeric SMILES

COC(=O)OC1=CNN2C1=NC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C9H6F3N3O4/c1-18-8(17)19-4-3-13-15-5(9(10,11)12)2-6(16)14-7(4)15/h2-3,13H,1H3