[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] pyridine-3-carboxylate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] pyridine-3-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C20H16ClN3O3 MolecularWeight: 381.81234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CN=CC=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CN=CC=C3)Cl)C4CC4

InChI

InChI=1S/C20H16ClN3O3/c1-12-4-2-6-15(13-7-8-13)18(12)27-19-16(10-17(21)23-24-19)26-20(25)14-5-3-9-22-11-14/h2-6,9-11,13H,7-8H2,1H3