3-[(2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate

Systemtic Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propionate Formula: C17H18NO7- MolecularWeight: 348.32732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-9(19)14-15(11-8-10(24-2)4-5-12(11)25-3)18(7-6-13(20)21)17(23)16(14)22/h4-5,8,15,22H,6-7H2,1-3H3,(H,20,21)/p-1/t15-/m0/s1