[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 2-bromanylbenzoate

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 2-bromanylbenzoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H17BrN2O2 MolecularWeight: 433.29728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H17BrN2O2/c1-16-8-7-11-18(14-16)26-22(15-21(25-26)17-9-3-2-4-10-17)28-23(27)19-12-5-6-13-20(19)24/h2-15H,1H3