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

Systemtic Name: [4-(aminocarbonylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: (3-nitro-4-ureido-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-(carbamoylamino)-3-nitrophenyl] ester IUPAC Name: [4-(carbamoylamino)-3-nitrophenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (3-nitro-4-ureido-phenyl) ester Formula: C14H10F3N3O6S MolecularWeight: 405.30591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H10F3N3O6S/c15-14(16,17)8-2-1-3-10(6-8)27(24,25)26-9-4-5-11(19-13(18)21)12(7-9)20(22)23/h1-7H,(H3,18,19,21)