4-[3,5-bis[bis(fluoranyl)methyl]-4-bromanyl-pyrazol-1-yl]butanoate

Systemtic Name: 4-[3,5-bis[bis(fluoranyl)methyl]-4-bromanyl-pyrazol-1-yl]butanoate Openeye Name: 4-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]butanoate CAS Name: 4-[4-bromo-3,5-bis(difluoromethyl)-1-pyrazolyl]butanoate IUPAC Name: 4-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]butanoate Traditional Name: 4-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]butyrate Formula: C9H8BrF4N2O2- MolecularWeight: 332.069633

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])CN1C(=C(C(=N1)C(F)F)Br)C(F)F

Isomeric SMILES

C(CC(=O)[O-])CN1C(=C(C(=N1)C(F)F)Br)C(F)F

InChI

InChI=1S/C9H9BrF4N2O2/c10-5-6(8(11)12)15-16(7(5)9(13)14)3-1-2-4(17)18/h8-9H,1-3H2,(H,17,18)/p-1