2-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoic acid

Systemtic Name: 2-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoic acid Openeye Name: 2-(2-nitro-4-sulfamoyl-anilino)propanoic acid CAS Name: 2-(2-nitro-4-sulfamoylanilino)propanoic acid IUPAC Name: 2-(2-nitro-4-sulfamoylanilino)propanoic acid Traditional Name: 2-(2-nitro-4-sulfamoyl-anilino)propionic acid Formula: C9H11N3O6S MolecularWeight: 289.26514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O6S/c1-5(9(13)14)11-7-3-2-6(19(10,17)18)4-8(7)12(15)16/h2-5,11H,1H3,(H,13,14)(H2,10,17,18)