2-[3-fluoranyl-4,5-bis(oxidanyl)phenyl]ethanenitrile

Systemtic Name: 2-[3-fluoranyl-4,5-bis(oxidanyl)phenyl]ethanenitrile Openeye Name: 2-(3-fluoro-4,5-dihydroxy-phenyl)acetonitrile CAS Name: 2-(3-fluoro-4,5-dihydroxyphenyl)acetonitrile IUPAC Name: 2-(3-fluoro-4,5-dihydroxyphenyl)acetonitrile Traditional Name: 2-(3-fluoro-4,5-dihydroxy-phenyl)acetonitrile Formula: C8H6FNO2 MolecularWeight: 167.137143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)F)CC#N

Isomeric SMILES

C1=C(C=C(C(=C1O)O)F)CC#N

InChI

InChI=1S/C8H6FNO2/c9-6-3-5(1-2-10)4-7(11)8(6)12/h3-4,11-12H,1H2