3-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanenitrile

Systemtic Name: 3-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanenitrile Openeye Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanenitrile CAS Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanenitrile IUPAC Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanenitrile Traditional Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propionitrile Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Br)CNCCC#N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)CNCCC#N

InChI

InChI=1S/C12H13BrN2O2/c13-10-6-9(8-15-3-1-2-14)7-11-12(10)17-5-4-16-11/h6-7,15H,1,3-5,8H2