[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridine-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-picolinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C18H20Cl3N3O3 MolecularWeight: 432.7287

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC(=C(C(=C4Cl)N)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC(=C(C(=C4Cl)N)Cl)Cl

InChI

InChI=1S/C18H20Cl3N3O3/c19-12-14(22)13(20)16(21)23-15(12)17(26)27-7-11(25)24-18-4-8-1-9(5-18)3-10(2-8)6-18/h8-10H,1-7H2,(H2,22,23)(H,24,25)