2-[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-hydroxy-3-methoxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-(vanillylamino)phenyl]acetonitrile Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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