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

Systemtic Name: ethyl 4-[[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H18F3N3O4 MolecularWeight: 445.39123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O4/c1-3-32-21(31)14-7-9-16(10-8-14)26-20(30)19-18(29)11-13(2)28(27-19)17-6-4-5-15(12-17)22(23,24)25/h4-12H,3H2,1-2H3,(H,26,30)