(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])C

Isomeric SMILES

CC1(OCC(O1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])C

InChI

InChI=1S/C13H14N2O6/c1-13(2)19-7-9(20-13)6-18-12(16)8-3-4-11-10(5-8)14-21-15(11)17/h3-5,9H,6-7H2,1-2H3