methyl 3-nitro-4-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-nitro-4-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 3-nitro-4-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-nitro-4-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 3-nitro-4-triflyloxy-benzoic acid methyl ester Formula: C9H6F3NO7S MolecularWeight: 329.20665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3NO7S/c1-19-8(14)5-2-3-7(6(4-5)13(15)16)20-21(17,18)9(10,11)12/h2-4H,1H3