ethyl (E)-3-[2-(3-oxidanylidenebutyl)pyridin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(3-oxidanylidenebutyl)pyridin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-(3-oxobutyl)-3-pyridyl]prop-2-enoate CAS Name: (E)-3-[2-(3-oxobutyl)-3-pyridinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(3-oxobutyl)pyridin-3-yl]prop-2-enoate Traditional Name: (E)-3-[2-(3-ketobutyl)-3-pyridyl]acrylic acid ethyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-3-18-14(17)9-7-12-5-4-10-15-13(12)8-6-11(2)16/h4-5,7,9-10H,3,6,8H2,1-2H3/b9-7+