[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H12BrNO3/c1-9(13(17)10-5-3-2-4-6-10)19-14(18)12-7-11(15)8-16-12/h2-9,16H,1H3/t9-/m0/s1