2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoate Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)acetate CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)acetate IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)acetate Traditional Name: 2-(N-mesyl-3-nitro-anilino)acetate Formula: C9H9N2O6S- MolecularWeight: 273.24256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S/c1-18(16,17)10(6-9(12)13)7-3-2-4-8(5-7)11(14)15/h2-5H,6H2,1H3,(H,12,13)/p-1