3,5-dimethyl-7-(1,2-oxazol-3-yl)octane-2,6-dione

Systemtic Name: 3,5-dimethyl-7-(1,2-oxazol-3-yl)octane-2,6-dione Openeye Name: 7-isoxazol-3-yl-3,5-dimethyl-octane-2,6-dione CAS Name: 7-(3-isoxazolyl)-3,5-dimethyloctane-2,6-dione IUPAC Name: 3,5-dimethyl-7-(1,2-oxazol-3-yl)octane-2,6-dione Traditional Name: 7-isoxazol-3-yl-3,5-dimethyl-octane-2,6-dione Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)C(C)C1=NOC=C1)C(=O)C

Isomeric SMILES

CC(CC(C)C(=O)C(C)C1=NOC=C1)C(=O)C

InChI

InChI=1S/C13H19NO3/c1-8(11(4)15)7-9(2)13(16)10(3)12-5-6-17-14-12/h5-6,8-10H,7H2,1-4H3