2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C9H10N2O7S MolecularWeight: 290.2499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O7S/c1-5(9(13)14)10-19(17,18)6-2-3-8(12)7(4-6)11(15)16/h2-5,10,12H,1H3,(H,13,14)