[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3-(trifluoromethyl)benzoate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C22H16ClF3N2O3 MolecularWeight: 448.82225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC(=CC=C3)C(F)(F)F)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC(=CC=C3)C(F)(F)F)Cl)C4CC4

InChI

InChI=1S/C22H16ClF3N2O3/c1-12-4-2-7-16(13-8-9-13)19(12)31-20-17(11-18(23)27-28-20)30-21(29)14-5-3-6-15(10-14)22(24,25)26/h2-7,10-11,13H,8-9H2,1H3