dimethyl (4S,5S)-4-(4-chlorophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-4-(4-chlorophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl (4S,5S)-4-(4-chlorophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4S,5S)-4-(4-chlorophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-4-(4-chlorophenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4S,5S)-4-(4-chlorophenyl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C13H12ClNO6 MolecularWeight: 313.69048

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO6/c1-19-12(16)10-9(7-3-5-8(14)6-4-7)11(13(17)20-2)21-15(10)18/h3-6,9,11H,1-2H3/t9-,11-/m0/s1