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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanenitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanenitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanenitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanenitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C12H13NO2/c1-9(8-13)10-3-4-11-12(7-10)15-6-2-5-14-11/h3-4,7,9H,2,5-6H2,1H3