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

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 2-(pyridine-4-carbonylamino)ethyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate CAS Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methyl-5-oxido-furazan-5-ium-3-carboxylic acid 2-isonicotinamidoethyl ester Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C(=O)OCCNC(=O)C2=CC=NC=C2)[O-]

Isomeric SMILES

CC1=[N+](ON=C1C(=O)OCCNC(=O)C2=CC=NC=C2)[O-]

InChI

InChI=1S/C12H12N4O5/c1-8-10(15-21-16(8)19)12(18)20-7-6-14-11(17)9-2-4-13-5-3-9/h2-5H,6-7H2,1H3,(H,14,17)