(6S)-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-2-propanoyl-cyclohexen-1-olate

Systemtic Name: (6S)-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-2-propanoyl-cyclohexen-1-olate Openeye Name: (6S)-5,5-dimethyl-6-(3-methylisoxazol-5-yl)-3-oxo-2-propanoyl-cyclohexen-1-olate CAS Name: (6S)-5,5-dimethyl-6-(3-methyl-5-isoxazolyl)-3-oxo-2-(1-oxopropyl)-1-cyclohexenolate IUPAC Name: (6S)-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-propanoylcyclohexen-1-olate Traditional Name: (6S)-3-keto-5,5-dimethyl-6-(3-methylisoxazol-5-yl)-2-propionyl-cyclohexen-1-olate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

Isomeric SMILES

CCC(=O)C1=C([C@H](C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

InChI

InChI=1S/C15H19NO4/c1-5-9(17)12-10(18)7-15(3,4)13(14(12)19)11-6-8(2)16-20-11/h6,13,19H,5,7H2,1-4H3/p-1/t13-/m1/s1