2-(4-chlorophenyl)-5-methyl-4-propanoyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-propanoyl-1H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-methyl-4-propanoyl-1H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-5-methyl-4-(1-oxopropyl)-1H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-propanoyl-1H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-methyl-4-propionyl-3-pyrazolin-3-one Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C13H13ClN2O2/c1-3-11(17)12-8(2)15-16(13(12)18)10-6-4-9(14)5-7-10/h4-7,15H,3H2,1-2H3