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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-iodanyl-benzoate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-iodo-benzoate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-iodobenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-iodobenzoate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-iodo-benzoic acid pyridazin-4-yl ester Formula: C21H16ClIN2O3 MolecularWeight: 506.72081

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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)I)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClIN2O3/c1-12-3-2-4-15(13-5-6-13)20(12)28-19-9-16(17(22)10-18(19)23)21(26)27-14-7-8-24-25-11-14/h2-4,7-11,13H,5-6H2,1H3