5-[bis(fluoranyl)methyl]-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: 5-[bis(fluoranyl)methyl]-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: 5-(difluoromethyl)-3-methyl-isoxazole-4-carboxylate CAS Name: 5-(difluoromethyl)-3-methyl-4-isoxazolecarboxylate IUPAC Name: 5-(difluoromethyl)-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-(difluoromethyl)-3-methyl-isoxazole-4-carboxylate Formula: C6H4F2NO3- MolecularWeight: 176.097666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)[O-])C(F)F

Isomeric SMILES

CC1=NOC(=C1C(=O)[O-])C(F)F

InChI

InChI=1S/C6H5F2NO3/c1-2-3(6(10)11)4(5(7)8)12-9-2/h5H,1H3,(H,10,11)/p-1