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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]benzoic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-11(23)17-18(12-7-8-15(28-2)16(10-12)29-3)22(20(25)19(17)24)14-6-4-5-13(9-14)21(26)27/h4-10,18,24H,1-3H3,(H,26,27)