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

Systemtic Name: 4-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 4-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]benzoic acid Formula: C19H20N2O8S MolecularWeight: 436.4357

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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=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S/c1-12(2)29-18(22)11-16(15-5-3-4-6-17(15)21(25)26)20-30(27,28)14-9-7-13(8-10-14)19(23)24/h3-10,12,16,20H,11H2,1-2H3,(H,23,24)