diethyl 2-oxidanidyl-4-(2-oxidanylidenepropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: diethyl 2-oxidanidyl-4-(2-oxidanylidenepropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: diethyl 4-acetonyl-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 2-oxido-4-(2-oxopropyl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-oxido-4-(2-oxopropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 4-acetonyl-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid diethyl ester Formula: C12H17NO7 MolecularWeight: 287.26588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=[N+](O1)[O-])C(=O)OCC)CC(=O)C

Isomeric SMILES

CCOC(=O)C1C(C(=[N+](O1)[O-])C(=O)OCC)CC(=O)C

InChI

InChI=1S/C12H17NO7/c1-4-18-11(15)9-8(6-7(3)14)10(20-13(9)17)12(16)19-5-2/h8,10H,4-6H2,1-3H3