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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylamino]benzenecarbonitrile Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylamino]benzonitrile CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)amino]benzonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O2/c1-20-15-7-12(14(17)8-16(15)21-2)10-19-13-5-3-4-11(6-13)9-18/h3-8,19H,10H2,1-2H3