2-(2,4-dichlorophenyl)-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate

Systemtic Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate Openeye Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate CAS Name: 2-(2,4-dichlorophenyl)-4-(1,3-dioxobutyl)-5-methyl-3-pyrazololate IUPAC Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-olate Formula: C14H11Cl2N2O3- MolecularWeight: 326.15474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12Cl2N2O3/c1-7(19)5-12(20)13-8(2)17-18(14(13)21)11-4-3-9(15)6-10(11)16/h3-4,6,21H,5H2,1-2H3/p-1