2-(3-nitrophenyl)sulfonylethanenitrile

Systemtic Name: 2-(3-nitrophenyl)sulfonylethanenitrile Openeye Name: 2-(3-nitrophenyl)sulfonylacetonitrile CAS Name: 2-(3-nitrophenyl)sulfonylacetonitrile IUPAC Name: 2-(3-nitrophenyl)sulfonylacetonitrile Traditional Name: 2-(3-nitrophenyl)sulfonylacetonitrile Formula: C8H6N2O4S MolecularWeight: 226.20924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O4S/c9-4-5-15(13,14)8-3-1-2-7(6-8)10(11)12/h1-3,6H,5H2