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

Systemtic Name: pyridazin-4-yl 2-chloranyl-4-cyano-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate Openeye Name: pyridazin-4-yl 2-chloro-4-cyano-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 2-chloro-4-cyano-5-(2-cyclopropyl-6-methylphenoxy)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-4-cyano-5-(2-cyclopropyl-6-methylphenoxy)benzoate Traditional Name: 2-chloro-4-cyano-5-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C=C2C#N)Cl)C(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C=C2C#N)Cl)C(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C22H16ClN3O3/c1-13-3-2-4-17(14-5-6-14)21(13)29-20-10-18(19(23)9-15(20)11-24)22(27)28-16-7-8-25-26-12-16/h2-4,7-10,12,14H,5-6H2,1H3