2-butanoyl-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5,5-dimethyl-4-(3-methylisoxazol-5-yl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-4-(3-methyl-5-isoxazolyl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5,5-dimethyl-4-(3-methylisoxazol-5-yl)cyclohexane-1,3-quinone Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C2=CC(=NO2)C)(C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C2=CC(=NO2)C)(C)C

InChI

InChI=1S/C16H21NO4/c1-5-6-10(18)13-11(19)8-16(3,4)14(15(13)20)12-7-9(2)17-21-12/h7,13-14H,5-6,8H2,1-4H3