3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C9H10N2O7S MolecularWeight: 290.2499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C9H10N2O7S/c12-8-2-1-6(5-7(8)11(15)16)19(17,18)10-4-3-9(13)14/h1-2,5,10,12H,3-4H2,(H,13,14)