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

Systemtic Name: 3-pyridin-3-ylpropyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 3-(3-pyridyl)propyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 3-(3-pyridyl)propyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

C1=CC(=CN=C1)CCCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChI

InChI=1S/C18H16N2O4/c19-11-15(9-14-5-6-16(21)17(22)10-14)18(23)24-8-2-4-13-3-1-7-20-12-13/h1,3,5-7,9-10,12,21-22H,2,4,8H2/b15-9+