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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H19Cl2NO3 MolecularWeight: 368.25436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(N=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(N=C4)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO3/c19-14-4-13(8-21-16(14)20)17(23)24-9-15(22)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,8,10-12H,1-3,5-7,9H2