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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H21Cl2N3O4 MolecularWeight: 426.29374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O4/c20-14-4-13(8-22-16(14)21)17(26)28-9-15(25)23-18(27)24-19-5-10-1-11(6-19)3-12(2-10)7-19/h4,8,10-12H,1-3,5-7,9H2,(H2,23,24,25,27)