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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-pyridinecarboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-(trifluoromethyl)nicotinic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H15ClF3N3O3 MolecularWeight: 449.81031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClF3N3O3/c1-11-3-2-4-13(12-5-6-12)18(11)31-19-16(9-17(22)27-28-19)30-20(29)14-10-26-8-7-15(14)21(23,24)25/h2-4,7-10,12H,5-6H2,1H3