(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C=CC3=CC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)/C=C/C3=CC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C20H16ClNO4/c21-17-10-16(11-18-20(17)25-9-1-8-24-18)13-26-19(23)7-6-14-2-4-15(12-22)5-3-14/h2-7,10-11H,1,8-9,13H2/b7-6+