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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21Cl2NO3 MolecularWeight: 382.28094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(N=C4)Cl)Cl

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(N=C4)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO3/c1-10(25-18(24)14-5-15(20)17(21)22-9-14)16(23)19-6-11-2-12(7-19)4-13(3-11)8-19/h5,9-13H,2-4,6-8H2,1H3