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

Systemtic Name: (2R)-3-ethanoyl-2-(3-nitrophenyl)-5-oxidanylidene-1-(3-oxidanylpropyl)-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-(3-hydroxypropyl)-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C15H15N2O6- MolecularWeight: 319.2894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6/c1-9(19)12-13(10-4-2-5-11(8-10)17(22)23)16(6-3-7-18)15(21)14(12)20/h2,4-5,8,13,18,20H,3,6-7H2,1H3/p-1/t13-/m1/s1