(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H16ClNO5/c1-24-16-4-2-13(3-5-16)8-15(11-22)20(23)27-12-14-9-17(21)19-18(10-14)25-6-7-26-19/h2-5,8-10H,6-7,12H2,1H3/b15-8+