3-[(2-nitro-4-sulfamoyl-phenyl)amino]butanoic acid

Systemtic Name: 3-[(2-nitro-4-sulfamoyl-phenyl)amino]butanoic acid Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)butanoic acid CAS Name: 3-(2-nitro-4-sulfamoylanilino)butanoic acid IUPAC Name: 3-(2-nitro-4-sulfamoylanilino)butanoic acid Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)butyric acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O6S/c1-6(4-10(14)15)12-8-3-2-7(20(11,18)19)5-9(8)13(16)17/h2-3,5-6,12H,4H2,1H3,(H,14,15)(H2,11,18,19)