prop-2-enyl (E)-2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)acrylic acid allyl ester Formula: C14H12INO4 MolecularWeight: 385.15385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC=C)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC=C)I)O

InChI

InChI=1S/C14H12INO4/c1-3-4-20-14(18)10(8-16)5-9-6-11(15)13(17)12(7-9)19-2/h3,5-7,17H,1,4H2,2H3/b10-5+