4-butanoyl-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-butanoyl-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-butanoyl-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-(1-oxobutyl)-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-butanoyl-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-butyryl-1-phenyl-pyrazolidine-3,5-quinone Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)NN(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1C(=O)NN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-2-6-10(16)11-12(17)14-15(13(11)18)9-7-4-3-5-8-9/h3-5,7-8,11H,2,6H2,1H3,(H,14,17)