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

Systemtic Name: 4-[3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 4-[4-acetyl-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]benzoic acid Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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