[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 4-bromanylbenzoate

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C21H21BrN2O2 MolecularWeight: 413.30764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/c1-14-6-5-7-17(12-14)24-19(13-18(23-24)21(2,3)4)26-20(25)15-8-10-16(22)11-9-15/h5-13H,1-4H3