3-[(2S)-2-(4-bromophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[(2S)-2-(4-bromophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propionic acid Formula: C15H14BrNO5 MolecularWeight: 368.17936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)Br)CCC(=O)O)O

InChI

InChI=1S/C15H14BrNO5/c1-8(18)12-13(9-2-4-10(16)5-3-9)17(7-6-11(19)20)15(22)14(12)21/h2-5,13,21H,6-7H2,1H3,(H,19,20)/t13-/m0/s1