[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H13N3O3/c1-9-3-4-10(7-15-9)12(17)18-8-11(16)14-6-2-5-13/h3-4,7H,2,6,8H2,1H3,(H,14,16)