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

Systemtic Name: 3-[3-ethanoyl-2-(2-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-acetyl-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[3-acetyl-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[3-acetyl-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[4-acetyl-3-hydroxy-2-keto-5-(2-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(9-4-2-3-5-10(9)17(23)24)16(7-6-11(19)20)15(22)14(12)21/h2-5,13,21H,6-7H2,1H3,(H,19,20)