4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid Openeye Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid CAS Name: 4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]benzoic acid IUPAC Name: 4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]benzoic acid Traditional Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O8S/c1-26-15-9-12(14(19(22)23)10-16(15)27-2)7-8-18-28(24,25)13-5-3-11(4-6-13)17(20)21/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)