2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]benzonitrile CAS Name: 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]benzonitrile IUPAC Name: 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]benzonitrile Traditional Name: 2-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]benzonitrile Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2=CC=CC=C2C#N

InChI

InChI=1S/C16H16N2O3/c1-20-14-7-11(8-15(21-2)16(14)19)10-18-13-6-4-3-5-12(13)9-17/h3-8,18-19H,10H2,1-2H3