phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxyphenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbethoxyoxy-4-hydroxy-phenyl)-2-cyano-acrylic acid phenethyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC(=C1)C=C(C#N)C(=O)OCCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)OC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCCC2=CC=CC=C2)O

InChI

InChI=1S/C21H19NO6/c1-2-26-21(25)28-19-13-16(8-9-18(19)23)12-17(14-22)20(24)27-11-10-15-6-4-3-5-7-15/h3-9,12-13,23H,2,10-11H2,1H3/b17-12+