(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-p-anisoyl-acrylonitrile Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C(=C2)Cl)OCCCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO4/c1-24-16-5-3-14(4-6-16)19(23)15(12-22)9-13-10-17(21)20-18(11-13)25-7-2-8-26-20/h3-6,9-11H,2,7-8H2,1H3/b15-9+