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

Systemtic Name: 4-chloranyl-3-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]benzoic acid Formula: C19H19ClN2O8S MolecularWeight: 470.88076

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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)Cl

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)Cl

InChI

InChI=1S/C19H19ClN2O8S/c1-11(2)30-18(23)10-15(13-5-3-4-6-16(13)22(26)27)21-31(28,29)17-9-12(19(24)25)7-8-14(17)20/h3-9,11,15,21H,10H2,1-2H3,(H,24,25)