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

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methylamino]propanenitrile Openeye Name: 3-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3,5-dibromo-2-ethoxy-benzyl)amino]propionitrile Formula: C12H14Br2N2O MolecularWeight: 362.06036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCC#N)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCC#N)Br)Br

InChI

InChI=1S/C12H14Br2N2O/c1-2-17-12-9(8-16-5-3-4-15)6-10(13)7-11(12)14/h6-7,16H,2-3,5,8H2,1H3