5-methyl-4-prop-2-ynyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-prop-2-ynyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-4-prop-2-ynyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-4-prop-2-ynyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-prop-2-ynyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-propargyl-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one Formula: C13H9Cl3N2O MolecularWeight: 315.58236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC#C)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C1CC#C)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H9Cl3N2O/c1-3-4-9-7(2)17-18(13(9)19)12-10(15)5-8(14)6-11(12)16/h1,5-6,9H,4H2,2H3