[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c1-10(14(18)11-2-4-13(16)5-3-11)21-15(19)12-6-8-17(20)9-7-12/h2-10H,1H3/t10-/m1/s1