5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one CAS Name: 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one Traditional Name: 5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-pyrazolin-3-one Formula: C11H8F3N3O3 MolecularWeight: 287.19473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3N3O3/c1-6-4-10(18)16(15-6)8-3-2-7(11(12,13)14)5-9(8)17(19)20/h2-3,5H,4H2,1H3