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

Systemtic Name: 4-[(2S)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2-phenyl-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-3-acetyl-4-oxido-5-oxo-2-phenyl-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-3-acetyl-4-oxido-5-oxo-2-phenyl-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-3-acetyl-4-oxido-5-oxo-2-phenyl-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(5S)-4-acetyl-2-keto-3-oxido-5-phenyl-3-pyrrolin-1-yl]butyrate Formula: C16H15NO5-2 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c1-10(18)13-14(11-6-3-2-4-7-11)17(16(22)15(13)21)9-5-8-12(19)20/h2-4,6-7,14,21H,5,8-9H2,1H3,(H,19,20)/p-2/t14-/m0/s1