(2S)-3-ethanoyl-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[3-(1-imidazolyl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(3-imidazol-1-ylpropyl)-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C18H17N4O5- MolecularWeight: 369.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CCCN3C=CN=C3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])CCCN3C=CN=C3)[O-]

InChI

InChI=1S/C18H18N4O5/c1-12(23)15-16(13-4-2-5-14(10-13)22(26)27)21(18(25)17(15)24)8-3-7-20-9-6-19-11-20/h2,4-6,9-11,16,24H,3,7-8H2,1H3/p-1/t16-/m0/s1