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

Systemtic Name: 3-[(2S)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-keto-3-pyrrolin-1-yl]propionate Formula: C16H16NO7- MolecularWeight: 334.30074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-8(18)13-14(9-3-4-10(19)11(7-9)24-2)17(6-5-12(20)21)16(23)15(13)22/h3-4,7,14,19,22H,5-6H2,1-2H3,(H,20,21)/p-1/t14-/m0/s1