(4-azanyl-3-nitro-phenyl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H9F3N2O5S MolecularWeight: 362.28117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3N2O5S/c14-13(15,16)8-2-1-3-10(6-8)24(21,22)23-9-4-5-11(17)12(7-9)18(19)20/h1-7H,17H2