[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(N=CC=C1)Cl)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(N=CC=C1)Cl)C2(CCCCC2)C#N

InChI

InChI=1S/C16H18ClN3O3/c1-20(16(11-18)7-3-2-4-8-16)13(21)10-23-15(22)12-6-5-9-19-14(12)17/h5-6,9H,2-4,7-8,10H2,1H3