methyl 4-(methylsulfonylmethyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(methylsulfonylmethyl)-3-nitro-benzoate Openeye Name: methyl 4-(methylsulfonylmethyl)-3-nitro-benzoate CAS Name: 4-(methylsulfonylmethyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(methylsulfonylmethyl)-3-nitrobenzoate Traditional Name: 4-(mesylmethyl)-3-nitro-benzoic acid methyl ester Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S/c1-17-10(12)7-3-4-8(6-18(2,15)16)9(5-7)11(13)14/h3-5H,6H2,1-2H3