2-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]phenyl]acetonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O2/c1-21-15-9-12(8-14(17)16(15)20)10-19-13-4-2-11(3-5-13)6-7-18/h2-5,8-9,19-20H,6,10H2,1H3