2,2-dimethyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one

Systemtic Name: 2,2-dimethyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one Openeye Name: 2,2-dimethyl-5-[(E)-2-(3-pyridyl)vinyl]furan-3-one CAS Name: 2,2-dimethyl-5-[(E)-2-(3-pyridinyl)ethenyl]-3-furanone IUPAC Name: 2,2-dimethyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one Traditional Name: 2,2-dimethyl-5-[(E)-2-(3-pyridyl)vinyl]furan-3-one Formula: C13H13NO2 MolecularWeight: 215.24782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C(O1)C=CC2=CN=CC=C2)C

Isomeric SMILES

CC1(C(=O)C=C(O1)/C=C/C2=CN=CC=C2)C

InChI

InChI=1S/C13H13NO2/c1-13(2)12(15)8-11(16-13)6-5-10-4-3-7-14-9-10/h3-9H,1-2H3/b6-5+