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

Systemtic Name: (2S)-3-ethanoyl-1-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(3-morpholinopropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[3-(4-morpholinyl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-2-keto-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C19H22N3O6- MolecularWeight: 388.39448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CCCN3CCOCC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])CCCN3CCOCC3)[O-]

InChI

InChI=1S/C19H23N3O6/c1-13(23)16-17(14-4-2-5-15(12-14)22(26)27)21(19(25)18(16)24)7-3-6-20-8-10-28-11-9-20/h2,4-5,12,17,24H,3,6-11H2,1H3/p-1/t17-/m0/s1