1-pyridin-2-ylethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 1-pyridin-2-ylethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 1-(2-pyridyl)ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 1-(2-pyridinyl)ethyl ester IUPAC Name: 1-pyridin-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 1-(2-pyridyl)ethyl ester Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)OC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

CC(C1=CC=CC=N1)OC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChI

InChI=1S/C17H14N2O4/c1-11(14-4-2-3-7-19-14)23-17(22)13(10-18)8-12-5-6-15(20)16(21)9-12/h2-9,11,20-21H,1H3/b13-8+