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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C18H20Cl2N2O3 MolecularWeight: 383.269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N2O3/c19-14-4-13(8-21-16(14)20)17(24)25-9-15(23)22-18-5-10-1-11(6-18)3-12(2-10)7-18/h4,8,10-12H,1-3,5-7,9H2,(H,22,23)