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

Systemtic Name: 4-[methyl-(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(N-methyl-4-methylsulfonyl-2-nitro-anilino)butanoic acid CAS Name: 4-(N-methyl-4-methylsulfonyl-2-nitroanilino)butanoic acid IUPAC Name: 4-(N-methyl-4-methylsulfonyl-2-nitroanilino)butanoic acid Traditional Name: 4-(4-mesyl-N-methyl-2-nitro-anilino)butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-13(7-3-4-12(15)16)10-6-5-9(21(2,19)20)8-11(10)14(17)18/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)