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

Systemtic Name: 4-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]butanenitrile Openeye Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]butanenitrile CAS Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butanenitrile IUPAC Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butanenitrile Traditional Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]butyronitrile Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CNCCCC#N)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(CNCCCC#N)O)O)O

InChI

InChI=1S/C12H16N2O3/c13-5-1-2-6-14-8-12(17)9-3-4-10(15)11(16)7-9/h3-4,7,12,14-17H,1-2,6,8H2