3-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]propanoic acid Openeye Name: 3-[4-(methylsulfamoyl)-2-nitro-anilino]propanoic acid CAS Name: 3-[4-(methylsulfamoyl)-2-nitroanilino]propanoic acid IUPAC Name: 3-[4-(methylsulfamoyl)-2-nitroanilino]propanoic acid Traditional Name: 3-[4-(methylsulfamoyl)-2-nitro-anilino]propionic acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)O)[N+](=O)[O-]

InChI

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