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

Systemtic Name: [5-ethyl-2-(2-methylphenyl)pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [5-ethyl-2-(o-tolyl)pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [5-ethyl-2-(2-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(2-methylphenyl)pyrazol-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-ethyl-2-(o-tolyl)pyrazol-3-yl] ester Formula: C19H17BrN2O2 MolecularWeight: 385.25448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3C

InChI

InChI=1S/C19H17BrN2O2/c1-3-16-12-18(22(21-16)17-7-5-4-6-13(17)2)24-19(23)14-8-10-15(20)11-9-14/h4-12H,3H2,1-2H3