(2S)-2-(4-bromophenyl)-3-ethanoyl-5-oxidanylidene-1-(3-oxidanylpropyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-bromophenyl)-3-ethanoyl-5-oxidanylidene-1-(3-oxidanylpropyl)-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(4-bromophenyl)-1-(3-hydroxypropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(4-bromophenyl)-1-(3-hydroxypropyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(4-bromophenyl)-1-(3-hydroxypropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(4-bromophenyl)-1-(3-hydroxypropyl)-2-keto-3-pyrrolin-3-olate Formula: C15H15BrNO4- MolecularWeight: 353.1879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CCCO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO4/c1-9(19)12-13(10-3-5-11(16)6-4-10)17(7-2-8-18)15(21)14(12)20/h3-6,13,18,20H,2,7-8H2,1H3/p-1/t13-/m0/s1