(2-azanyl-2-oxidanylidene-ethyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C10H10N2O7S MolecularWeight: 302.2606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O7S/c1-20(17,18)8-3-2-6(4-7(8)12(15)16)10(14)19-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)