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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic 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=C(C=CC(=N4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=C(C=CC(=N4)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O4/c20-13-1-2-14(21)22-16(13)17(26)28-9-15(25)23-18(27)24-19-6-10-3-11(7-19)5-12(4-10)8-19/h1-2,10-12H,3-9H2,(H2,23,24,25,27)