2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanenitrile

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanenitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c12-5-4-9-2-3-10-11(8-9)14-7-1-6-13-10/h2-3,8H,1,4,6-7H2