3-[(3-nitrophenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(3-nitrophenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(3-nitrophenyl)sulfonylamino]butanoic acid CAS Name: 3-[(3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(3-nitrophenyl)sulfonylamino]butyric acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S/c1-7(5-10(13)14)11-19(17,18)9-4-2-3-8(6-9)12(15)16/h2-4,6-7,11H,5H2,1H3,(H,13,14)