3-ethanoyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 3-ethanoyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one CAS Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one IUPAC Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one Traditional Name: 4-acetyl-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)-3-pyrrolin-2-one Formula: C18H19N4O5+ MolecularWeight: 371.36726

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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[N+]3=CNC=C3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCC[N+]3=CNC=C3)O

InChI

InChI=1S/C18H18N4O5/c1-12(23)15-16(13-3-5-14(6-4-13)22(26)27)21(18(25)17(15)24)9-2-8-20-10-7-19-11-20/h3-7,10-11,16H,2,8-9H2,1H3,(H,23,24)/p+1