[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H20Cl3NO3 MolecularWeight: 416.726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl3NO3/c20-13-1-2-14(21)17(22)16(13)18(25)26-9-15(24)23-19-6-10-3-11(7-19)5-12(4-10)8-19/h1-2,10-12H,3-9H2,(H,23,24)