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

Systemtic Name: 3-[3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[4-acetyl-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]propionic acid Formula: C15H14N2O7 MolecularWeight: 334.28086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O7/c1-8(18)12-13(9-3-2-4-10(7-9)17(23)24)16(6-5-11(19)20)15(22)14(12)21/h2-4,7,13,21H,5-6H2,1H3,(H,19,20)