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

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-2-methyl-benzoate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-2-methyl-benzoate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-2-methylbenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-2-methylbenzoate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-2-methyl-benzoic acid pyridazin-4-yl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3/c1-13-4-3-5-17(15-6-7-15)21(13)28-19-9-8-18(23)20(14(19)2)22(26)27-16-10-11-24-25-12-16/h3-5,8-12,15H,6-7H2,1-2H3