[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C11H10BrN3O3/c12-9-4-8(5-14-6-9)11(17)18-7-10(16)15-3-1-2-13/h4-6H,1,3,7H2,(H,15,16)