(2R)-3-ethanoyl-1-(hydroxymethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-ethanoyl-1-(hydroxymethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-(hydroxymethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-(hydroxymethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-(hydroxymethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-2-keto-1-methylol-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C13H11N2O6- MolecularWeight: 291.23624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])CO)[O-]

InChI

InChI=1S/C13H12N2O6/c1-7(17)10-11(14(6-16)13(19)12(10)18)8-3-2-4-9(5-8)15(20)21/h2-5,11,16,18H,6H2,1H3/p-1/t11-/m1/s1