2-(4-chlorophenyl)-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate Openeye Name: 2-(4-chlorophenyl)-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate CAS Name: 2-(4-chlorophenyl)-4-(1,3-dioxobutyl)-5-methyl-3-pyrazololate IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-2-(4-chlorophenyl)-5-methyl-pyrazol-3-olate Formula: C14H12ClN2O3- MolecularWeight: 291.70968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3/c1-8(18)7-12(19)13-9(2)16-17(14(13)20)11-5-3-10(15)4-6-11/h3-6,20H,7H2,1-2H3/p-1