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

Systemtic Name: 4-[[4-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[2-(tert-butylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[1-(tert-butylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[1-(tert-butylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[2-(tert-butylamino)-2-keto-1-methyl-ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)NC(C)(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/C20H23N3O8S/c1-12(18(24)21-20(2,3)4)31-17-10-9-15(11-16(17)23(27)28)32(29,30)22-14-7-5-13(6-8-14)19(25)26/h5-12,22H,1-4H3,(H,21,24)(H,25,26)