ethyl (2E)-5-oxidanylidene-2-(pyridin-3-ylmethylidene)hexanoate

Systemtic Name: ethyl (2E)-5-oxidanylidene-2-(pyridin-3-ylmethylidene)hexanoate Openeye Name: ethyl (2E)-5-oxo-2-(3-pyridylmethylene)hexanoate CAS Name: (2E)-5-oxo-2-(3-pyridinylmethylidene)hexanoic acid ethyl ester IUPAC Name: ethyl (2E)-5-oxo-2-(pyridin-3-ylmethylidene)hexanoate Traditional Name: (E)-2-(3-ketobutyl)-3-(3-pyridyl)acrylic acid ethyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN=CC=C1)CCC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN=CC=C1)/CCC(=O)C

InChI

InChI=1S/C14H17NO3/c1-3-18-14(17)13(7-6-11(2)16)9-12-5-4-8-15-10-12/h4-5,8-10H,3,6-7H2,1-2H3/b13-9+