methyl 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C15H11F3N2O6S MolecularWeight: 404.31785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N2O6S/c1-26-14(21)9-3-2-4-11(7-9)27(24,25)19-10-5-6-13(20(22)23)12(8-10)15(16,17)18/h2-8,19H,1H3