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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C14H13BrN4O3 MolecularWeight: 365.18202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O3/c15-12-7-11(8-18-9-12)14(21)22-10-13(20)19(5-1-3-16)6-2-4-17/h7-9H,1-2,5-6,10H2