3-pyridin-3-ylpropyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4/c19-15(21-8-2-4-11-3-1-7-16-10-11)12-5-6-14-13(9-12)17-22-18(14)20/h1,3,5-7,9-10H,2,4,8H2