2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one; 3-oxidanylidenehexanoic acid

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one; 3-oxidanylidenehexanoic acid Openeye Name: 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one; 3-oxohexanoic acid CAS Name: 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one; 3-oxohexanoic acid IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one; 3-oxohexanoic acid Traditional Name: 2-(4-chlorophenyl)-5-methyl-2-pyrazolin-3-one; 3-ketohexanoic acid Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)O.CC1=NN(C(=O)C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)CC(=O)O.CC1=NN(C(=O)C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2O.C6H10O3/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9;1-2-3-5(7)4-6(8)9/h2-5H,6H2,1H3;2-4H2,1H3,(H,8,9)