[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN2O2/c1-14-6-11-18(15(2)12-14)25-20(13-19(24-25)22(3,4)5)27-21(26)16-7-9-17(23)10-8-16/h6-13H,1-5H3