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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)OCC3=CC=CC=C3C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCC3=CC=CC=C3C#N)Cl)OC1

InChI

InChI=1S/C20H16ClNO4/c21-17-10-14(11-18-20(17)25-9-3-8-24-18)6-7-19(23)26-13-16-5-2-1-4-15(16)12-22/h1-2,4-7,10-11H,3,8-9,13H2/b7-6+