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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C11H11NO8S MolecularWeight: 317.27194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO8S/c1-19-10(13)6-20-11(14)7-3-4-9(21(2,17)18)8(5-7)12(15)16/h3-5H,6H2,1-2H3