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

Systemtic Name: 2-[methyl-(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoic acid Openeye Name: 2-(N-methyl-4-methylsulfonyl-2-nitro-anilino)acetic acid CAS Name: 2-(N-methyl-4-methylsulfonyl-2-nitroanilino)acetic acid IUPAC Name: 2-(N-methyl-4-methylsulfonyl-2-nitroanilino)acetic acid Traditional Name: 2-(4-mesyl-N-methyl-2-nitro-anilino)acetic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S/c1-11(6-10(13)14)8-4-3-7(19(2,17)18)5-9(8)12(15)16/h3-5H,6H2,1-2H3,(H,13,14)