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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC(=O)[O-])[O-])C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC(=O)[O-])[O-])C(=O)C

InChI

InChI=1S/C16H17NO5/c1-9-3-5-11(6-4-9)14-13(10(2)18)15(21)16(22)17(14)8-7-12(19)20/h3-6,14,21H,7-8H2,1-2H3,(H,19,20)/p-2/t14-/m0/s1