4-[3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 4-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 4-[4-acetyl-3-hydroxy-2-keto-5-(4-methoxyphenyl)-3-pyrrolin-1-yl]benzoic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)