2-(6-bromanyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanenitrile

Systemtic Name: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-2-morpholino-acetonitrile CAS Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetonitrile Traditional Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-2-morpholino-acetonitrile Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C#N)C2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C1COCCN1C(C#N)C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H13BrN2O3/c14-10-6-13-12(18-8-19-13)5-9(10)11(7-15)16-1-3-17-4-2-16/h5-6,11H,1-4,8H2