dimethyl 2-oxidanidyl-4-(3-oxidanylidenebutan-2-yl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 2-oxidanidyl-4-(3-oxidanylidenebutan-2-yl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl 4-(1-methyl-2-oxo-propyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 2-oxido-4-(3-oxobutan-2-yl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-oxido-4-(3-oxobutan-2-yl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 4-(2-keto-1-methyl-propyl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C11H15NO7 MolecularWeight: 273.2393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O[N+](=C1C(=O)OC)[O-])C(=O)OC)C(=O)C

Isomeric SMILES

CC(C1C(O[N+](=C1C(=O)OC)[O-])C(=O)OC)C(=O)C

InChI

InChI=1S/C11H15NO7/c1-5(6(2)13)7-8(10(14)17-3)12(16)19-9(7)11(15)18-4/h5,7,9H,1-4H3