5-(4-bromophenyl)-3-chloranyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 5-(4-bromophenyl)-3-chloranyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C14H5BrClF3N3O2- MolecularWeight: 419.56061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)[O-])Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)[O-])Cl)Br

InChI

InChI=1S/C14H6BrClF3N3O2/c15-7-3-1-6(2-4-7)8-5-9(14(17,18)19)22-12(20-8)10(16)11(21-22)13(23)24/h1-5H,(H,23,24)/p-1