(2-phenylethanoylamino) 5-tert-butyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (2-phenylethanoylamino) 5-tert-butyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-3-carboxylate Openeye Name: [(2-phenylacetyl)amino] 5-tert-butyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-(2,4,6-trichlorophenyl)-3-pyrazolecarboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] 5-tert-butyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C22H20Cl3N3O3 MolecularWeight: 480.7715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=C(C=C(C=C2Cl)Cl)Cl)C(=O)ONC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=C(C=C(C=C2Cl)Cl)Cl)C(=O)ONC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20Cl3N3O3/c1-22(2,3)18-12-17(26-28(18)20-15(24)10-14(23)11-16(20)25)21(30)31-27-19(29)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,27,29)