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

Systemtic Name: 2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]amino]propanoic acid Openeye Name: 2-[4-(dimethylsulfamoyl)-2-nitro-anilino]propanoic acid CAS Name: 2-[4-(dimethylsulfamoyl)-2-nitroanilino]propanoic acid IUPAC Name: 2-[4-(dimethylsulfamoyl)-2-nitroanilino]propanoic acid Traditional Name: 2-[4-(dimethylsulfamoyl)-2-nitro-anilino]propionic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O6S/c1-7(11(15)16)12-9-5-4-8(6-10(9)14(17)18)21(19,20)13(2)3/h4-7,12H,1-3H3,(H,15,16)