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

Systemtic Name: 5-[3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-2-oxidanyl-benzoate Openeye Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxy-benzoate CAS Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxybenzoate IUPAC Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxybenzoate Traditional Name: 5-[4-acetyl-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]-2-hydroxy-benzoate Formula: C19H13N2O8- MolecularWeight: 397.31512

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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)O)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O8/c1-9(22)15-16(10-2-4-11(5-3-10)21(28)29)20(18(25)17(15)24)12-6-7-14(23)13(8-12)19(26)27/h2-8,16,23-24H,1H3,(H,26,27)/p-1