[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CC5

InChI

InChI=1S/C22H17ClN2O5/c1-12-3-2-4-15(13-5-6-13)20(12)30-21-18(10-19(23)24-25-21)29-22(26)14-7-8-16-17(9-14)28-11-27-16/h2-4,7-10,13H,5-6,11H2,1H3