[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H17Cl2N3O3 MolecularWeight: 370.23048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N3O3/c1-10(14(22)21-16(9-19)5-3-2-4-6-16)24-15(23)11-7-12(17)13(18)20-8-11/h7-8,10H,2-6H2,1H3,(H,21,22)