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

Systemtic Name: 4-[(2S)-3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 4-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoate IUPAC Name: 4-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]benzoate Formula: C19H13N2O7- MolecularWeight: 381.31572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O7/c1-10(22)15-16(11-2-8-14(9-3-11)21(27)28)20(18(24)17(15)23)13-6-4-12(5-7-13)19(25)26/h2-9,16,23H,1H3,(H,25,26)/p-1/t16-/m0/s1