(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H16ClNO5/c1-24-18-4-2-13(3-5-18)6-14(9-22)20(23)26-11-16-8-17(21)7-15-10-25-12-27-19(15)16/h2-8H,10-12H2,1H3/b14-6+