4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethoxy]benzonitrile Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC3=CC=C(C=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC3=CC=C(C=C3)C#N)OC1

InChI

InChI=1S/C18H15NO4/c19-11-13-2-5-15(6-3-13)23-12-16(20)14-4-7-17-18(10-14)22-9-1-8-21-17/h2-7,10H,1,8-9,12H2