methyl (4R,5R)-4-(4-bromophenyl)-2-oxidanidyl-5-oxidanyl-5,6-dihydro-4H-1,2-oxazin-2-ium-3-carboxylate

Systemtic Name: methyl (4R,5R)-4-(4-bromophenyl)-2-oxidanidyl-5-oxidanyl-5,6-dihydro-4H-1,2-oxazin-2-ium-3-carboxylate Openeye Name: methyl (4R,5R)-4-(4-bromophenyl)-5-hydroxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-3-carboxylate CAS Name: (4R,5R)-4-(4-bromophenyl)-5-hydroxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-4-(4-bromophenyl)-5-hydroxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-3-carboxylate Traditional Name: (4R,5R)-4-(4-bromophenyl)-5-hydroxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-3-carboxylic acid methyl ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](OCC(C1C2=CC=C(C=C2)Br)O)[O-]

Isomeric SMILES

COC(=O)C1=[N+](OC[C@@H]([C@@H]1C2=CC=C(C=C2)Br)O)[O-]

InChI

InChI=1S/C12H12BrNO5/c1-18-12(16)11-10(9(15)6-19-14(11)17)7-2-4-8(13)5-3-7/h2-5,9-10,15H,6H2,1H3/t9-,10-/m0/s1