2,2-dimethylpropanoyloxymethyl 4-(5-oxidanylidene-4H-1,3,4-oxadiazin-2-yl)benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-(5-oxidanylidene-4H-1,3,4-oxadiazin-2-yl)benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)benzoate CAS Name: 4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)benzoate Traditional Name: 4-(5-keto-4H-1,3,4-oxadiazin-2-yl)benzoic acid pivaloyloxymethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)CO2

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)CO2

InChI

InChI=1S/C16H18N2O6/c1-16(2,3)15(21)24-9-23-14(20)11-6-4-10(5-7-11)13-18-17-12(19)8-22-13/h4-7H,8-9H2,1-3H3,(H,17,19)