pyridazin-4-yl 6,6-bis(chloranyl)-3-(2-cyclopropyl-6-methyl-phenoxy)pyridine-3-carboxylate

Systemtic Name: pyridazin-4-yl 6,6-bis(chloranyl)-3-(2-cyclopropyl-6-methyl-phenoxy)pyridine-3-carboxylate Openeye Name: pyridazin-4-yl 6,6-dichloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridine-3-carboxylate CAS Name: 6,6-dichloro-3-(2-cyclopropyl-6-methylphenoxy)-3-pyridinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6,6-dichloro-3-(2-cyclopropyl-6-methylphenoxy)pyridine-3-carboxylate Traditional Name: 6,6-dichloro-3-(2-cyclopropyl-6-methyl-phenoxy)nicotinic acid pyridazin-4-yl ester Formula: C20H17Cl2N3O3 MolecularWeight: 418.27328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O3/c1-13-3-2-4-16(14-5-6-14)17(13)28-19(8-9-20(21,22)23-12-19)18(26)27-15-7-10-24-25-11-15/h2-4,7-12,14H,5-6H2,1H3