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

Systemtic Name: (3-cyanophenyl)methyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: (3-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 (3-cyanophenyl)methyl ester IUPAC Name: (3-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 (3-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(=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCC3=CC=CC(=C3)C#N)Cl)OC1

InChI

InChI=1S/C20H16ClNO4/c21-17-10-14(11-18-20(17)25-8-2-7-24-18)5-6-19(23)26-13-16-4-1-3-15(9-16)12-22/h1,3-6,9-11H,2,7-8,13H2/b6-5+