methyl 4-[[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]benzoate CAS Name: 4-[[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]benzoate Traditional Name: 4-[[4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H16F3N3O4 MolecularWeight: 431.36465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H16F3N3O4/c1-12-10-17(28)18(19(29)25-15-8-6-13(7-9-15)20(30)31-2)26-27(12)16-5-3-4-14(11-16)21(22,23)24/h3-11H,1-2H3,(H,25,29)