pyridin-3-ylmethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate hydrochloride

Systemtic Name: pyridin-3-ylmethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate hydrochloride Openeye Name: 3-pyridylmethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate hydrochloride CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate hydrochloride Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 3-pyridylmethyl ester hydrochloride Formula: C13H10ClN3O4 MolecularWeight: 307.6892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-].Cl

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)C2=CC3=NO[N+](=C3C=C2)[O-].Cl

InChI

InChI=1S/C13H9N3O4.ClH/c17-13(19-8-9-2-1-5-14-7-9)10-3-4-12-11(6-10)15-20-16(12)18;/h1-7H,8H2;1H