2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-4-10(12(15)16)13-21(19,20)9-5-7(2)8(3)11(6-9)14(17)18/h5-6,10,13H,4H2,1-3H3,(H,15,16)