cyanomethyl 3-nitrobenzenesulfonate

Systemtic Name: cyanomethyl 3-nitrobenzenesulfonate Openeye Name: cyanomethyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid cyanomethyl ester Formula: C8H6N2O5S MolecularWeight: 242.20864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O5S/c9-4-5-15-16(13,14)8-3-1-2-7(6-8)10(11)12/h1-3,6H,5H2