5,5-bis(fluoranyl)-5-(1-methylpyrazol-4-yl)pentanoate

Systemtic Name: 5,5-bis(fluoranyl)-5-(1-methylpyrazol-4-yl)pentanoate Openeye Name: 5,5-difluoro-5-(1-methylpyrazol-4-yl)pentanoate CAS Name: 5,5-difluoro-5-(1-methyl-4-pyrazolyl)pentanoate IUPAC Name: 5,5-difluoro-5-(1-methylpyrazol-4-yl)pentanoate Traditional Name: 5,5-difluoro-5-(1-methylpyrazol-4-yl)valerate Formula: C9H11F2N2O2- MolecularWeight: 217.192646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(CCCC(=O)[O-])(F)F

Isomeric SMILES

CN1C=C(C=N1)C(CCCC(=O)[O-])(F)F

InChI

InChI=1S/C9H12F2N2O2/c1-13-6-7(5-12-13)9(10,11)4-2-3-8(14)15/h5-6H,2-4H2,1H3,(H,14,15)/p-1