[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-2-carboxylate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-2-carboxylate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 5-bromopyridine-2-carboxylate CAS Name: 5-bromo-2-pyridinecarboxylic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-bromopyridine-2-carboxylate Traditional Name: 5-bromopicolinic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=NC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=NC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO4/c1-10(15(19)11-3-6-13(21-2)7-4-11)22-16(20)14-8-5-12(17)9-18-14/h3-10H,1-2H3/t10-/m0/s1