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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC(C)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC(C)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-7-4-10(14(17)18)6-11(9(7)3)21(19,20)13-8(2)5-12(15)16/h4,6,8,13H,5H2,1-3H3,(H,15,16)