[3-(trifluoromethyl)phenyl] 4-(2-nitroethanoylamino)benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-(2-nitroethanoylamino)benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-[(2-nitroacetyl)amino]benzenesulfonate CAS Name: 4-[(2-nitro-1-oxoethyl)amino]benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-[(2-nitroacetyl)amino]benzenesulfonate Traditional Name: 4-[(2-nitroacetyl)amino]benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H11F3N2O6S MolecularWeight: 404.31785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N2O6S/c16-15(17,18)10-2-1-3-12(8-10)26-27(24,25)13-6-4-11(5-7-13)19-14(21)9-20(22)23/h1-8H,9H2,(H,19,21)