(2S)-2-(4-chlorophenyl)-3-ethanoyl-1-[2-(1H-imidazol-5-yl)ethyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-chlorophenyl)-3-ethanoyl-1-[2-(1H-imidazol-5-yl)ethyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(4-chlorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(4-chlorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(4-chlorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(4-chlorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-keto-3-pyrrolin-3-olate Formula: C17H15ClN3O3- MolecularWeight: 344.7723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)CCC3=CN=CN3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)Cl)CCC3=CN=CN3)[O-]

InChI

InChI=1S/C17H16ClN3O3/c1-10(22)14-15(11-2-4-12(18)5-3-11)21(17(24)16(14)23)7-6-13-8-19-9-20-13/h2-5,8-9,15,23H,6-7H2,1H3,(H,19,20)/p-1/t15-/m0/s1