4-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 4-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-4-(1-methylallyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-4-(1-methylallyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C9H11F3N2O MolecularWeight: 220.19165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C1=C(NN(C1=O)C)C(F)(F)F

Isomeric SMILES

CC(C=C)C1=C(NN(C1=O)C)C(F)(F)F

InChI

InChI=1S/C9H11F3N2O/c1-4-5(2)6-7(9(10,11)12)13-14(3)8(6)15/h4-5,13H,1H2,2-3H3