2-oxidanylpropyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: 2-oxidanylpropyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: 2-hydroxypropyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 2-hydroxypropyl ester IUPAC Name: 2-hydroxypropyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 2-hydroxypropyl ester Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5/c1-6(13)5-16-10(14)7-2-3-9-8(4-7)11-17-12(9)15/h2-4,6,13H,5H2,1H3