(4E)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)-4-[oxidanyl-(4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)-4-[oxidanyl-(4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-nitrophenyl)pyrrolidine-2,3-quinone Formula: C26H25N4O6+ MolecularWeight: 489.4999

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=C(C=C4)[N+](=O)[O-])/O

InChI

InChI=1S/C26H24N4O6/c1-2-16-36-21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(9-5-18)30(34)35)29(26(33)25(22)32)14-3-13-28-15-12-27-17-28/h2,4-12,15,17,23H,1,3,13-14,16H2,(H,31,32)/p+1