3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methylamino]propanenitrile

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methylamino]propanenitrile Openeye Name: 3-[(3,5-dibromo-2-methoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3,5-dibromo-2-methoxy-benzyl)amino]propionitrile Formula: C11H12Br2N2O MolecularWeight: 348.03378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CNCCC#N)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1CNCCC#N)Br)Br

InChI

InChI=1S/C11H12Br2N2O/c1-16-11-8(7-15-4-2-3-14)5-9(12)6-10(11)13/h5-6,15H,2,4,7H2,1H3