[4-(ethanoylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(ethanoylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(acetylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[acetamido(oxo)methyl]amino]-3-nitrophenyl] ester IUPAC Name: [4-(acetylcarbamoylamino)-3-nitrophenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-(acetylcarbamoylamino)-3-nitro-phenyl] ester Formula: C16H12F3N3O7S MolecularWeight: 447.34259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O7S/c1-9(23)20-15(24)21-13-6-5-11(8-14(13)22(25)26)29-30(27,28)12-4-2-3-10(7-12)16(17,18)19/h2-8H,1H3,(H2,20,21,23,24)