2-methoxycarbonyl-2-methyl-4-oxidanylidene-4-pyridin-4-yl-butaneperoxoic acid

Systemtic Name: 2-methoxycarbonyl-2-methyl-4-oxidanylidene-4-pyridin-4-yl-butaneperoxoic acid Openeye Name: 2-methoxycarbonyl-2-methyl-4-oxo-4-(4-pyridyl)butaneperoxoic acid CAS Name: 2-methoxycarbonyl-2-methyl-4-oxo-4-pyridin-4-ylbutaneperoxoic acid IUPAC Name: 2-methoxycarbonyl-2-methyl-4-oxo-4-pyridin-4-ylbutaneperoxoic acid Traditional Name: 2-carbomethoxy-4-keto-2-methyl-4-(4-pyridyl)peroxybutyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=NC=C1)(C(=O)OC)C(=O)OO

Isomeric SMILES

CC(CC(=O)C1=CC=NC=C1)(C(=O)OC)C(=O)OO

InChI

InChI=1S/C12H13NO6/c1-12(10(15)18-2,11(16)19-17)7-9(14)8-3-5-13-6-4-8/h3-6,17H,7H2,1-2H3