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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C(F)(F)F)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C(F)(F)F)C4CC4

InChI

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