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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic 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=C(C=CC(=N4)Cl)Cl

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=N4)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO3/c1-10(25-18(24)16-14(20)2-3-15(21)22-16)17(23)19-7-11-4-12(8-19)6-13(5-11)9-19/h2-3,10-13H,4-9H2,1H3