(2S)-3-ethanoyl-1-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(2-morpholinoethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[2-(4-morpholinyl)ethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-2-keto-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C18H20N3O6- MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CCN3CCOCC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])CCN3CCOCC3)[O-]

InChI

InChI=1S/C18H21N3O6/c1-12(22)15-16(13-3-2-4-14(11-13)21(25)26)20(18(24)17(15)23)6-5-19-7-9-27-10-8-19/h2-4,11,16,23H,5-10H2,1H3/p-1/t16-/m0/s1