[(E)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate

Systemtic Name: [(E)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate Openeye Name: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E)-(4,5-dimethyl-1-triazolyl)imino-(3-pyridinyl)methyl] ester IUPAC Name: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-pyridin-3-ylcarbonimidoyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E)-N-(4,5-dimethyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] ester Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=N1)N=C(C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N(N=N1)/N=C(\C2=CN=CC=C2)/OC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C16H14N6O2/c1-11-12(2)22(21-19-11)20-15(13-5-3-7-17-9-13)24-16(23)14-6-4-8-18-10-14/h3-10H,1-2H3/b20-15+