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

Systemtic Name: 2-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-methyl-2-oxido-furazan-2-ium-3-yl)methyl]isoindoline-1,3-quinone Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NO[N+](=C1CN2C(=O)C3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

CC1=NO[N+](=C1CN2C(=O)C3=CC=CC=C3C2=O)[O-]

InChI

InChI=1S/C12H9N3O4/c1-7-10(15(18)19-13-7)6-14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5H,6H2,1H3