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

Systemtic Name: 2-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-fluoro-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(4-fluoro-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C9H9FN2O6S MolecularWeight: 292.240963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9FN2O6S/c1-5(9(13)14)11-19(17,18)6-2-3-7(10)8(4-6)12(15)16/h2-5,11H,1H3,(H,13,14)