[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=C(C=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CN(N=C1)C2=NC=C(C=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H13N5O3/c15-5-1-6-16-13(20)10-22-14(21)11-3-4-12(17-9-11)19-8-2-7-18-19/h2-4,7-9H,1,6,10H2,(H,16,20)