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

Systemtic Name: 4-[(2S)-3-ethanoyl-2-(4-nitrophenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-3-acetyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-3-acetyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-3-acetyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(5S)-4-acetyl-2-keto-5-(4-nitrophenyl)-3-oxido-3-pyrrolin-1-yl]butyrate Formula: C16H14N2O7-2 MolecularWeight: 346.29156

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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-])CCCC(=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7/c1-9(19)13-14(10-4-6-11(7-5-10)18(24)25)17(16(23)15(13)22)8-2-3-12(20)21/h4-7,14,22H,2-3,8H2,1H3,(H,20,21)/p-2/t14-/m0/s1