dimethyl (4R,5R)-4-(4-nitrophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl (4R,5R)-4-(4-nitrophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl (4R,5R)-4-(4-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4R,5R)-4-(4-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4R,5R)-4-(4-nitrophenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4R,5R)-4-(4-nitrophenyl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C13H12N2O8 MolecularWeight: 324.24298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O8/c1-21-12(16)10-9(11(13(17)22-2)23-15(10)20)7-3-5-8(6-4-7)14(18)19/h3-6,9,11H,1-2H3/t9-,11-/m1/s1