3-nitro-5-sulfamoyl-4-[[3-(trifluoromethyl)phenyl]amino]benzoic acid

Systemtic Name: 3-nitro-5-sulfamoyl-4-[[3-(trifluoromethyl)phenyl]amino]benzoic acid Openeye Name: 3-nitro-5-sulfamoyl-4-[3-(trifluoromethyl)anilino]benzoic acid CAS Name: 3-nitro-5-sulfamoyl-4-[3-(trifluoromethyl)anilino]benzoic acid IUPAC Name: 3-nitro-5-sulfamoyl-4-[3-(trifluoromethyl)anilino]benzoic acid Traditional Name: 3-nitro-5-sulfamoyl-4-[3-(trifluoromethyl)anilino]benzoic acid Formula: C14H10F3N3O6S MolecularWeight: 405.30591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H10F3N3O6S/c15-14(16,17)8-2-1-3-9(6-8)19-12-10(20(23)24)4-7(13(21)22)5-11(12)27(18,25)26/h1-6,19H,(H,21,22)(H2,18,25,26)