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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-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-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H16ClNO4/c1-13-2-4-14(5-3-13)6-15(9-22)20(23)25-11-17-8-18(21)7-16-10-24-12-26-19(16)17/h2-8H,10-12H2,1H3/b15-6+