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

Systemtic Name: 3-[(2S)-3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-2-(4-methoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-2-(4-methoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-2-(4-methoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(5S)-4-acetyl-2-keto-5-(4-methoxyphenyl)-3-oxido-3-pyrrolin-1-yl]propionate Formula: C16H15NO6-2 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6/c1-9(18)13-14(10-3-5-11(23-2)6-4-10)17(8-7-12(19)20)16(22)15(13)21/h3-6,14,21H,7-8H2,1-2H3,(H,19,20)/p-2/t14-/m0/s1