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

Systemtic Name: 2-[(2-nitro-4-sulfamoyl-phenyl)amino]butanoic acid Openeye Name: 2-(2-nitro-4-sulfamoyl-anilino)butanoic acid CAS Name: 2-(2-nitro-4-sulfamoylanilino)butanoic acid IUPAC Name: 2-(2-nitro-4-sulfamoylanilino)butanoic acid Traditional Name: 2-(2-nitro-4-sulfamoyl-anilino)butyric acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O6S/c1-2-7(10(14)15)12-8-4-3-6(20(11,18)19)5-9(8)13(16)17/h3-5,7,12H,2H2,1H3,(H,14,15)(H2,11,18,19)