3-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: 3-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate Openeye Name: 3-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]propanoate IUPAC Name: 3-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propionate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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