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

Systemtic Name: 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]propanenitrile Openeye Name: 3-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzyl)amino]propionitrile Formula: C12H15BrN2O2 MolecularWeight: 299.1637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCC#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCC#N)Br)OC

InChI

InChI=1S/C12H15BrN2O2/c1-16-11-7-9(8-15-5-3-4-14)6-10(13)12(11)17-2/h6-7,15H,3,5,8H2,1-2H3