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

Systemtic Name: 5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-2-hydroxy-benzoic acid Formula: C17H18N2O9S MolecularWeight: 426.39782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O9S/c1-27-15-7-10(13(19(23)24)9-16(15)28-2)5-6-18-29(25,26)11-3-4-14(20)12(8-11)17(21)22/h3-4,7-9,18,20H,5-6H2,1-2H3,(H,21,22)