3-methyl-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-7(2)11(12(15)16)13-21(19,20)10-6-9(14(17)18)5-4-8(10)3/h4-7,11,13H,1-3H3,(H,15,16)