(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(2-fluorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H16ClFN2O5 MolecularWeight: 430.813543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H16ClFN2O5/c1-12-8-17(26)19(24-25(12)16-5-3-2-4-15(16)23)21(27)30-11-13-9-14(22)20-18(10-13)28-6-7-29-20/h2-5,8-10H,6-7,11H2,1H3