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

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)butanoic acid CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)butanoic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)butanoic acid Traditional Name: 2-(4-mesyl-2-nitro-anilino)butyric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c1-3-8(11(14)15)12-9-5-4-7(20(2,18)19)6-10(9)13(16)17/h4-6,8,12H,3H2,1-2H3,(H,14,15)