3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O7S/c1-6(4-10(14)15)11-20(18,19)7-2-3-9(13)8(5-7)12(16)17/h2-3,5-6,11,13H,4H2,1H3,(H,14,15)