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

Systemtic Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]propionic acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c1-6-4-9(13(16)17)5-10(7(6)2)20(18,19)12-8(3)11(14)15/h4-5,8,12H,1-3H3,(H,14,15)