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

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

COC(=O)CNC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

Isomeric SMILES

COC(=O)CNC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C13H15BrF3N3O3/c1-23-9(22)6-18-8(21)4-5-20-11(7-2-3-7)10(14)12(19-20)13(15,16)17/h7H,2-6H2,1H3,(H,18,21)