5-tert-butyl-2-(3-chlorophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-chlorophenyl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(3-chlorophenyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(3-chlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(3-chlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(3-chlorophenyl)-2-pyrazolin-3-one Formula: C13H15ClN2O MolecularWeight: 250.724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O/c1-13(2,3)11-8-12(17)16(15-11)10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3