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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethanenitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)acetonitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)acetonitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)acetonitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)acetonitrile Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2/c12-4-5-13-9-2-3-10-11(8-9)15-7-1-6-14-10/h2-3,8,13H,1,5-7H2