3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonyl-amino]butanoic acid Openeye Name: 3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonyl-amino]butanoic acid CAS Name: 3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3,3-dimethyl-2-[methyl-(2-nitrophenyl)sulfonyl-amino]butyric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-13(2,3)11(12(16)17)14(4)22(20,21)10-8-6-5-7-9(10)15(18)19/h5-8,11H,1-4H3,(H,16,17)