(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3,5-dimethoxyphenyl)acrylonitrile Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4/c1-22-16-10-15(11-17(13-16)23-2)18(6-7-21)14-4-5-19-20(12-14)25-9-3-8-24-19/h4-6,10-13H,3,8-9H2,1-2H3/b18-6+