(4-benzamidophenyl) 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: (4-benzamidophenyl) 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: (4-benzamidophenyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid (4-benzamidophenyl) ester Formula: C26H18F3N3O4 MolecularWeight: 493.43403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H18F3N3O4/c1-16-15-22(33)23(31-32(16)21-10-6-5-9-20(21)26(27,28)29)25(35)36-19-13-11-18(12-14-19)30-24(34)17-7-3-2-4-8-17/h2-15H,1H3,(H,30,34)