[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C12H12BrN3O3/c1-16(4-2-3-14)11(17)8-19-12(18)9-5-10(13)7-15-6-9/h5-7H,2,4,8H2,1H3