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

Systemtic Name: 3-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(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)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c1-7-5-9(13(16)17)6-10(8(7)2)20(18,19)12-4-3-11(14)15/h5-6,12H,3-4H2,1-2H3,(H,14,15)