3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-6(2)10(11(15)16)12-21(19,20)7-3-4-9(14)8(5-7)13(17)18/h3-6,10,12,14H,1-2H3,(H,15,16)