3,4-dimethyl-5-oxidanyl-5-(pyridin-4-ylmethyl)furan-2-one

Systemtic Name: 3,4-dimethyl-5-oxidanyl-5-(pyridin-4-ylmethyl)furan-2-one Openeye Name: 5-hydroxy-3,4-dimethyl-5-(4-pyridylmethyl)furan-2-one CAS Name: 5-hydroxy-3,4-dimethyl-5-(pyridin-4-ylmethyl)-2-furanone IUPAC Name: 5-hydroxy-3,4-dimethyl-5-(pyridin-4-ylmethyl)furan-2-one Traditional Name: 5-hydroxy-3,4-dimethyl-5-(4-pyridylmethyl)furan-2-one Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(OC1=O)(CC2=CC=NC=C2)O)C

Isomeric SMILES

CC1=C(C(OC1=O)(CC2=CC=NC=C2)O)C

InChI

InChI=1S/C12H13NO3/c1-8-9(2)12(15,16-11(8)14)7-10-3-5-13-6-4-10/h3-6,15H,7H2,1-2H3