4-[[3-nitro-4-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[3-nitro-4-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[1-methyl-2-oxo-2-(propylamino)ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-nitro-4-[1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3-nitro-4-[1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[2-keto-1-methyl-2-(propylamino)ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-3-10-20-18(23)12(2)30-17-9-8-15(11-16(17)22(26)27)31(28,29)21-14-6-4-13(5-7-14)19(24)25/h4-9,11-12,21H,3,10H2,1-2H3,(H,20,23)(H,24,25)