ethyl (2S)-3-bromanyl-2-methyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate

Systemtic Name: ethyl (2S)-3-bromanyl-2-methyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl (2S)-3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenyl-pyrrole-2-carboxylate CAS Name: (2S)-3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate Traditional Name: (2S)-3-bromo-4-hydroxy-5-keto-2-methyl-1-phenyl-3-pyrroline-2-carboxylic acid ethyl ester Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)N1C2=CC=CC=C2)O)Br)C

Isomeric SMILES

CCOC(=O)[C@]1(C(=C(C(=O)N1C2=CC=CC=C2)O)Br)C

InChI

InChI=1S/C14H14BrNO4/c1-3-20-13(19)14(2)11(15)10(17)12(18)16(14)9-7-5-4-6-8-9/h4-8,17H,3H2,1-2H3/t14-/m1/s1