4-hexanoyl-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-hexanoyl-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-hexanoyl-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-(1-oxohexyl)-2-phenyl-3-pyrazololate IUPAC Name: 4-hexanoyl-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-caproyl-5-methyl-2-phenyl-pyrazol-3-olate Formula: C16H19N2O2- MolecularWeight: 271.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H20N2O2/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,20H,3-4,6,11H2,1-2H3/p-1