3-(5-fluoranyl-2-nitro-4-sulfamoyl-phenoxy)propanoic acid

Systemtic Name: 3-(5-fluoranyl-2-nitro-4-sulfamoyl-phenoxy)propanoic acid Openeye Name: 3-(5-fluoro-2-nitro-4-sulfamoyl-phenoxy)propanoic acid CAS Name: 3-(5-fluoro-2-nitro-4-sulfamoylphenoxy)propanoic acid IUPAC Name: 3-(5-fluoro-2-nitro-4-sulfamoylphenoxy)propanoic acid Traditional Name: 3-(5-fluoro-2-nitro-4-sulfamoyl-phenoxy)propionic acid Formula: C9H9FN2O7S MolecularWeight: 308.240363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9FN2O7S/c10-5-3-7(19-2-1-9(13)14)6(12(15)16)4-8(5)20(11,17)18/h3-4H,1-2H2,(H,13,14)(H2,11,17,18)