4-[(2S)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 4-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]benzoate IUPAC Name: 4-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-5-keto-4-oxido-3-pyrrolin-1-yl]benzoate Formula: C21H17NO7-2 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C21H19NO7/c1-11(23)17-18(15-9-8-14(28-2)10-16(15)29-3)22(20(25)19(17)24)13-6-4-12(5-7-13)21(26)27/h4-10,18,24H,1-3H3,(H,26,27)/p-2/t18-/m0/s1