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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C14H16Cl3NO3 MolecularWeight: 352.64074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C14H16Cl3NO3/c1-8(2)5-6-18-11(19)7-21-14(20)12-9(15)3-4-10(16)13(12)17/h3-4,8H,5-7H2,1-2H3,(H,18,19)