methyl 2-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethanoate Openeye Name: methyl 2-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]acetate CAS Name: 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]acetate Traditional Name: 2-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]acetic acid methyl ester Formula: C13H15BrF3N3O3 MolecularWeight: 398.17571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)OC)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

Isomeric SMILES

CC(C(=O)NCC(=O)OC)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C13H15BrF3N3O3/c1-6(12(22)18-5-8(21)23-2)20-10(7-3-4-7)9(14)11(19-20)13(15,16)17/h6-7H,3-5H2,1-2H3,(H,18,22)