cyanomethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: cyanomethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid cyanomethyl ester Formula: C10H8N2O6S MolecularWeight: 284.24532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O6S/c1-19(16,17)9-3-2-7(6-8(9)12(14)15)10(13)18-5-4-11/h2-3,6H,5H2,1H3