5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one; 3-oxidanylidenehexanoic acid

Systemtic Name: 5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one; 3-oxidanylidenehexanoic acid Openeye Name: 5-methyl-2-(2-pyridyl)-4H-pyrazol-3-one; 3-oxohexanoic acid CAS Name: 5-methyl-2-(2-pyridinyl)-4H-pyrazol-3-one; 3-oxohexanoic acid IUPAC Name: 5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one; 3-oxohexanoic acid Traditional Name: 3-ketohexanoic acid; 5-methyl-2-(2-pyridyl)-2-pyrazolin-3-one Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)O.CC1=NN(C(=O)C1)C2=CC=CC=N2

Isomeric SMILES

CCCC(=O)CC(=O)O.CC1=NN(C(=O)C1)C2=CC=CC=N2

InChI

InChI=1S/C9H9N3O.C6H10O3/c1-7-6-9(13)12(11-7)8-4-2-3-5-10-8;1-2-3-5(7)4-6(8)9/h2-5H,6H2,1H3;2-4H2,1H3,(H,8,9)