methyl 5-(nitromethyl)-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate

Systemtic Name: methyl 5-(nitromethyl)-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate Openeye Name: methyl 5-(nitromethyl)-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate CAS Name: 5-(nitromethyl)-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(nitromethyl)-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate Traditional Name: 5-(nitromethyl)-5-(trifluoromethyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C7H8F3N3O4 MolecularWeight: 255.15133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(C1)(C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)C1=NNC(C1)(C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H8F3N3O4/c1-17-5(14)4-2-6(12-11-4,3-13(15)16)7(8,9)10/h12H,2-3H2,1H3