2-(4-hydroxyphenyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 2-(4-hydroxyphenyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 2-(4-hydroxyphenyl)ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-(4-hydroxyphenyl)ethyl ester IUPAC Name: 2-(4-hydroxyphenyl)ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 2-(4-hydroxyphenyl)ethyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)O

Isomeric SMILES

C1=CC(=CC=C1CCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)O

InChI

InChI=1S/C18H15NO5/c19-11-14(9-13-3-6-16(21)17(22)10-13)18(23)24-8-7-12-1-4-15(20)5-2-12/h1-6,9-10,20-22H,7-8H2/b14-9+