[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methylbenzoate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] ester Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)Cl)C(C)(C)C

InChI

InChI=1S/C21H21ClN2O2/c1-14-8-10-15(11-9-14)20(25)26-19-13-18(21(2,3)4)23-24(19)17-7-5-6-16(22)12-17/h5-13H,1-4H3