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

Systemtic Name: 2-azanyl-2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanenitrile Openeye Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetonitrile CAS Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetonitrile IUPAC Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetonitrile Traditional Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetonitrile Formula: C11H11BrN2O2 MolecularWeight: 283.12124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2O2/c12-8-4-7(9(14)6-13)5-10-11(8)16-3-1-2-15-10/h4-5,9H,1-3,14H2