diethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: diethyl 4-(2-ethoxy-2-oxo-ethyl)-2-hydroxy-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-2-hydroxy-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-ethoxy-2-oxoethyl)-2-hydroxy-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-2-hydroxy-2-isoxazolin-2-ium-3,5-dicarboxylic acid diethyl ester Formula: C13H20NO8+ MolecularWeight: 318.2998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(O[N+](=C1C(=O)OCC)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1C(O[N+](=C1C(=O)OCC)O)C(=O)OCC

InChI

InChI=1S/C13H20NO8/c1-4-19-9(15)7-8-10(12(16)20-5-2)14(18)22-11(8)13(17)21-6-3/h8,11,18H,4-7H2,1-3H3/q+1