dimethyl 3-[4-[2,2-bis(fluoranyl)ethanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[2,2-bis(fluoranyl)ethanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[(2,2-difluoro-1-oxoethyl)amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C12H15F2N3O5 MolecularWeight: 319.261406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C(F)F

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C(F)F

InChI

InChI=1S/C12H15F2N3O5/c1-21-9(18)3-8(4-10(19)22-2)17-6-7(5-15-17)16-12(20)11(13)14/h5-6,8,11H,3-4H2,1-2H3,(H,16,20)