2-(pyridin-2-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: 2-(pyridin-2-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: 2-(pyridine-2-carbonylamino)ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 2-[[oxo(2-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-2-carbonylamino)ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 2-picolinamidoethyl ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)NCCOC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C(=O)NCCOC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

InChI

InChI=1S/C15H12N4O5/c20-14(11-3-1-2-6-16-11)17-7-8-23-15(21)10-4-5-13-12(9-10)18-24-19(13)22/h1-6,9H,7-8H2,(H,17,20)