methyl 4-[3-ethanoyl-4-oxidanyl-5-oxidanylidene-1-(2-oxidanylpropyl)-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-ethanoyl-4-oxidanyl-5-oxidanylidene-1-(2-oxidanylpropyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC(CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C17H19NO6/c1-9(19)8-18-14(13(10(2)20)15(21)16(18)22)11-4-6-12(7-5-11)17(23)24-3/h4-7,9,14,19,21H,8H2,1-3H3