4-butyl-4-oxidanyl-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-butyl-4-oxidanyl-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-hydroxy-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-hydroxy-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-hydroxy-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-hydroxy-1-phenyl-pyrazolidine-3,5-quinone Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NN(C1=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC1(C(=O)NN(C1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O3/c1-2-3-9-13(18)11(16)14-15(12(13)17)10-7-5-4-6-8-10/h4-8,18H,2-3,9H2,1H3,(H,14,16)