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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C19H22Cl2N2O3 MolecularWeight: 397.29558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N2O3/c20-15-4-14(8-22-17(15)21)18(25)26-9-16(24)23-10-19-5-11-1-12(6-19)3-13(2-11)7-19/h4,8,11-13H,1-3,5-7,9-10H2,(H,23,24)