pyridazin-4-yl 2-bromanyl-6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-5-methoxy-benzoate

Systemtic Name: pyridazin-4-yl 2-bromanyl-6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-5-methoxy-benzoate Openeye Name: pyridazin-4-yl 2-bromo-6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-5-methoxy-benzoate CAS Name: 2-bromo-6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-5-methoxybenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-bromo-6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-5-methoxybenzoate Traditional Name: 2-bromo-6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-5-methoxy-benzoic acid pyridazin-4-yl ester Formula: C22H18BrClN2O4 MolecularWeight: 489.74632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrClN2O4/c1-12-4-3-5-15(13-6-7-13)21(12)30-16-10-17(28-2)20(24)18(19(16)23)22(27)29-14-8-9-25-26-11-14/h3-5,8-11,13H,6-7H2,1-2H3