3-(2-cyano-1-oxidanyl-ethyl)benzenecarbonitrile

Systemtic Name: 3-(2-cyano-1-oxidanyl-ethyl)benzenecarbonitrile Openeye Name: 3-(2-cyano-1-hydroxy-ethyl)benzonitrile CAS Name: 3-(2-cyano-1-hydroxyethyl)benzonitrile IUPAC Name: 3-(2-cyano-1-hydroxyethyl)benzonitrile Traditional Name: 3-(2-cyano-1-hydroxy-ethyl)benzonitrile Formula: C10H8N2O MolecularWeight: 172.18332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CC#N)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(CC#N)O)C#N

InChI

InChI=1S/C10H8N2O/c11-5-4-10(13)9-3-1-2-8(6-9)7-12/h1-3,6,10,13H,4H2