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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2-methoxy-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-methoxy-5-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=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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