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

Systemtic Name: 3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-acetyl-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-acetyl-1-[3-(4-morpholin-4-iumyl)propyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-acetyl-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-acetyl-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C19H23N3O6 MolecularWeight: 389.40242

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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-])CCC[NH+]3CCOCC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCC[NH+]3CCOCC3)[O-]

InChI

InChI=1S/C19H23N3O6/c1-13(23)16-17(14-3-5-15(6-4-14)22(26)27)21(19(25)18(16)24)8-2-7-20-9-11-28-12-10-20/h3-6,17,24H,2,7-12H2,1H3