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

Systemtic Name: 2-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-4-nitro-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C5H4F3N3O3 MolecularWeight: 211.09877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H4F3N3O3/c1-10-4(12)2(11(13)14)3(9-10)5(6,7)8/h9H,1H3