2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)OCC#N

InChI

InChI=1S/C21H19NO5/c1-24-20-13-15(4-7-18(20)27-12-9-22)3-6-17(23)16-5-8-19-21(14-16)26-11-2-10-25-19/h3-8,13-14H,2,10-12H2,1H3/b6-3+