2-[2-ethyl-3,4-bis(oxidanyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-ethyl-3,4-bis(oxidanyl)phenyl]ethanenitrile Openeye Name: 2-(2-ethyl-3,4-dihydroxy-phenyl)acetonitrile CAS Name: 2-(2-ethyl-3,4-dihydroxyphenyl)acetonitrile IUPAC Name: 2-(2-ethyl-3,4-dihydroxyphenyl)acetonitrile Traditional Name: 2-(2-ethyl-3,4-dihydroxy-phenyl)acetonitrile Formula: C10H11NO2 MolecularWeight: 177.19984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)O)CC#N

Isomeric SMILES

CCC1=C(C=CC(=C1O)O)CC#N

InChI

InChI=1S/C10H11NO2/c1-2-8-7(5-6-11)3-4-9(12)10(8)13/h3-4,12-13H,2,5H2,1H3