5-(fluoranylmethyl)-2-methyl-4-nitro-1H-pyrazol-3-one

Systemtic Name: 5-(fluoranylmethyl)-2-methyl-4-nitro-1H-pyrazol-3-one Openeye Name: 5-(fluoromethyl)-2-methyl-4-nitro-1H-pyrazol-3-one CAS Name: 5-(fluoromethyl)-2-methyl-4-nitro-1H-pyrazol-3-one IUPAC Name: 5-(fluoromethyl)-2-methyl-4-nitro-1H-pyrazol-3-one Traditional Name: 5-(fluoromethyl)-2-methyl-4-nitro-3-pyrazolin-3-one Formula: C5H6FN3O3 MolecularWeight: 175.117843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)CF)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(N1)CF)[N+](=O)[O-]

InChI

InChI=1S/C5H6FN3O3/c1-8-5(10)4(9(11)12)3(2-6)7-8/h7H,2H2,1H3