6-[(2S)-2-(4-bromophenyl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate

Systemtic Name: 6-[(2S)-2-(4-bromophenyl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(2S)-3-acetyl-2-(4-bromophenyl)-5-keto-4-oxido-3-pyrrolin-1-yl]hexanoate Formula: C18H18BrNO5-2 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO5/c1-11(21)15-16(12-6-8-13(19)9-7-12)20(18(25)17(15)24)10-4-2-3-5-14(22)23/h6-9,16,24H,2-5,10H2,1H3,(H,22,23)/p-2/t16-/m0/s1