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

Systemtic Name: 2-butanoyl-4-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-butanoyl-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione CAS Name: 4-(3-methyl-5-isoxazolyl)-2-(1-oxobutyl)-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-butanoyl-4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione Traditional Name: 2-butyryl-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohexane-1,3-quinone Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C2=CC(=NO2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C2=CC(=NO2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c1-3-7-15(22)19-16(23)11-14(13-8-5-4-6-9-13)18(20(19)24)17-10-12(2)21-25-17/h4-6,8-10,14,18-19H,3,7,11H2,1-2H3