dimethyl 2-oxidanidyl-4-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 2-oxidanidyl-4-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl 2-oxido-4-phenyl-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 2-oxido-4-phenyl-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-oxido-4-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 2-oxido-4-phenyl-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=[N+](O1)[O-])C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(C(=[N+](O1)[O-])C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO6/c1-18-12(15)10-9(8-6-4-3-5-7-8)11(13(16)19-2)20-14(10)17/h3-7,9,11H,1-2H3