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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-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-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H18ClNO5/c1-2-26-19-5-3-14(4-6-19)7-15(10-23)21(24)27-12-17-9-18(22)8-16-11-25-13-28-20(16)17/h3-9H,2,11-13H2,1H3/b15-7+