4-methoxy-3-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C20H22N2O9S MolecularWeight: 466.46168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O9S/c1-12(2)31-19(23)11-15(14-6-4-5-7-16(14)22(26)27)21-32(28,29)18-10-13(20(24)25)8-9-17(18)30-3/h4-10,12,15,21H,11H2,1-3H3,(H,24,25)