pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-(trifluoromethyl)benzoate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-(trifluoromethyl)benzoate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-(trifluoromethyl)benzoate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-(trifluoromethyl)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-(trifluoromethyl)benzoate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-(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)C(=O)OC3=CN=NC=C3)Cl)C(F)(F)F)C4CC4

Isomeric SMILES

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

InChI

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