diethyl 2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]malonic acid diethyl ester Formula: C14H17BrF3N3O5 MolecularWeight: 444.20109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C14H17BrF3N3O5/c1-4-25-12(23)10(13(24)26-5-2)19-8(22)6-21-7(3)9(15)11(20-21)14(16,17)18/h10H,4-6H2,1-3H3,(H,19,22)