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

Systemtic Name: 4-[(2S)-2-(4-bromophenyl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(2S)-3-acetyl-2-(4-bromophenyl)-5-keto-4-oxido-3-pyrrolin-1-yl]butyrate Formula: C16H14BrNO5-2 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO5/c1-9(19)13-14(10-4-6-11(17)7-5-10)18(16(23)15(13)22)8-2-3-12(20)21/h4-7,14,22H,2-3,8H2,1H3,(H,20,21)/p-2/t14-/m0/s1