4,4-bis(but-3-en-2-yl)-2-methyl-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4,4-bis(but-3-en-2-yl)-2-methyl-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-methyl-4,4-bis(1-methylallyl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4,4-bis(but-3-en-2-yl)-2-methyl-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4,4-bis(but-3-en-2-yl)-2-methyl-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-methyl-4,4-bis(1-methylallyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C13H17F3N2O MolecularWeight: 274.28209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F3N2O/c1-6-8(3)12(9(4)7-2)10(13(14,15)16)17-18(5)11(12)19/h6-9H,1-2H2,3-5H3