[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H18BrN3O3/c1-11(23-15(22)12-7-13(17)9-19-8-12)14(21)20-16(10-18)5-3-2-4-6-16/h7-9,11H,2-6H2,1H3,(H,20,21)