2-[4-[(5-methoxy-2-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(5-methoxy-2-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(2-hydroxy-5-methoxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(2-hydroxy-5-methoxy-benzyl)amino]phenyl]acetonitrile Formula: C16H16N2O2 MolecularWeight: 268.31044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CNC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC(=C(C=C1)O)CNC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H16N2O2/c1-20-15-6-7-16(19)13(10-15)11-18-14-4-2-12(3-5-14)8-9-17/h2-7,10,18-19H,8,11H2,1H3