3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-7(5-11(14)15)12-21(18,19)8-3-4-10(20-2)9(6-8)13(16)17/h3-4,6-7,12H,5H2,1-2H3,(H,14,15)