2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxidanyl-ethanenitrile

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxidanyl-ethanenitrile Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-hydroxy-acetonitrile CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-hydroxyacetonitrile IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-hydroxyacetonitrile Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-hydroxy-acetonitrile Formula: C11H10BrNO3 MolecularWeight: 284.106

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(C#N)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(C#N)O)Br)OC1

InChI

InChI=1S/C11H10BrNO3/c12-8-4-7(9(14)6-13)5-10-11(8)16-3-1-2-15-10/h4-5,9,14H,1-3H2