5-tert-butyl-2-(3-chloranyl-4-methyl-phenyl)-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-chloranyl-4-methyl-phenyl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(3-chloro-4-methyl-phenyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(3-chloro-4-methylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(3-chloro-4-methylphenyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(3-chloro-4-methyl-phenyl)-2-pyrazolin-3-one Formula: C14H17ClN2O MolecularWeight: 264.75058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(=N2)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CC(=N2)C(C)(C)C)Cl

InChI

InChI=1S/C14H17ClN2O/c1-9-5-6-10(7-11(9)15)17-13(18)8-12(16-17)14(2,3)4/h5-7H,8H2,1-4H3