[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridine-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-picolinic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17Cl3N4O4 MolecularWeight: 411.66818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C14H17Cl3N4O4/c1-5(11(22)20-13(24)21-14(2,3)4)25-12(23)9-6(15)8(18)7(16)10(17)19-9/h5H,1-4H3,(H2,18,19)(H2,20,21,22,24)