2-[(2-oxidanidyl-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-oxidanidyl-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-oxido-4-phenyl-furazan-2-ium-3-yl)methyl]isoindoline-1,3-quinone Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NO[N+](=C2CN3C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NO[N+](=C2CN3C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C17H11N3O4/c21-16-12-8-4-5-9-13(12)17(22)19(16)10-14-15(18-24-20(14)23)11-6-2-1-3-7-11/h1-9H,10H2