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

Systemtic Name: 2-[(2S)-3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanoate Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetate CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetate IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetate Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]acetate Formula: C14H11N2O7- MolecularWeight: 319.24634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7/c1-7(17)11-12(8-2-4-9(5-3-8)16(22)23)15(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)/p-1/t12-/m0/s1