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

Systemtic Name: 1-pyridin-2-ylethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: 1-(2-pyridyl)ethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-2-propenoic acid 1-(2-pyridinyl)ethyl ester IUPAC Name: 1-pyridin-2-ylethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dicarbethoxyoxyphenyl)acrylic acid 1-(2-pyridyl)ethyl ester Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)OC(C)C2=CC=CC=N2)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OC(C)C2=CC=CC=N2)OC(=O)OCC

InChI

InChI=1S/C23H22N2O8/c1-4-29-22(27)32-19-10-9-16(13-20(19)33-23(28)30-5-2)12-17(14-24)21(26)31-15(3)18-8-6-7-11-25-18/h6-13,15H,4-5H2,1-3H3/b17-12+