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

Systemtic Name: pyridazin-4-yl 4-bromanyl-2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate Openeye Name: pyridazin-4-yl 4-bromo-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 4-bromo-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 4-bromo-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzoate Traditional Name: 4-bromo-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C21H16BrClN2O3 MolecularWeight: 459.72034

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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)Br)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O3/c1-12-3-2-4-15(13-5-6-13)20(12)28-19-9-16(18(23)10-17(19)22)21(26)27-14-7-8-24-25-11-14/h2-4,7-11,13H,5-6H2,1H3