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

Systemtic Name: 4-[3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 4-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 4-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-keto-3-pyrrolin-1-yl]benzoic acid Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO7/c1-10(22)16-17(12-5-8-14(23)15(9-12)28-2)21(19(25)18(16)24)13-6-3-11(4-7-13)20(26)27/h3-9,17,23-24H,1-2H3,(H,26,27)