4-(2,6-dimethylpyridin-4-yl)-2-ethoxycarbonyl-2-ethyl-4-oxidanylidene-butaneperoxoic acid

Systemtic Name: 4-(2,6-dimethylpyridin-4-yl)-2-ethoxycarbonyl-2-ethyl-4-oxidanylidene-butaneperoxoic acid Openeye Name: 4-(2,6-dimethyl-4-pyridyl)-2-ethoxycarbonyl-2-ethyl-4-oxo-butaneperoxoic acid CAS Name: 4-(2,6-dimethyl-4-pyridinyl)-2-ethoxycarbonyl-2-ethyl-4-oxobutaneperoxoic acid IUPAC Name: 4-(2,6-dimethylpyridin-4-yl)-2-ethoxycarbonyl-2-ethyl-4-oxobutaneperoxoic acid Traditional Name: 2-carbethoxy-4-(2,6-dimethyl-4-pyridyl)-2-ethyl-4-keto-peroxybutyric acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C1=CC(=NC(=C1)C)C)(C(=O)OCC)C(=O)OO

Isomeric SMILES

CCC(CC(=O)C1=CC(=NC(=C1)C)C)(C(=O)OCC)C(=O)OO

InChI

InChI=1S/C16H21NO6/c1-5-16(15(20)23-21,14(19)22-6-2)9-13(18)12-7-10(3)17-11(4)8-12/h7-8,21H,5-6,9H2,1-4H3