tert-butyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: tert-butyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: tert-butyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid tert-butyl ester Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=NO[N+](=C2C=C1)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C11H12N2O4/c1-11(2,3)16-10(14)7-4-5-9-8(6-7)12-17-13(9)15/h4-6H,1-3H3