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

Systemtic Name: 4-[3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoic acid Openeye Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]butanoic acid CAS Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]butanoic acid IUPAC Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]butanoic acid Traditional Name: 4-[4-acetyl-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]butyric acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7/c1-9(19)13-14(10-4-2-5-11(8-10)18(24)25)17(16(23)15(13)22)7-3-6-12(20)21/h2,4-5,8,14,22H,3,6-7H2,1H3,(H,20,21)