2-(pyridin-4-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: 2-(pyridine-4-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(pyridin-4-yl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: 1-oxidobenzofurazan-1-ium-5-carboxylic acid 2-isonicotinamidoethyl ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](ON=C2C=C1C(=O)OCCNC(=O)C3=CC=NC=C3)[O-]

Isomeric SMILES

C1=CC2=[N+](ON=C2C=C1C(=O)OCCNC(=O)C3=CC=NC=C3)[O-]

InChI

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