diethyl 2-[[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanedioate CAS Name: 2-[[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanedioate Traditional Name: 2-[[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]malonic acid diethyl ester Formula: C20H20F3N3O6 MolecularWeight: 455.38451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C20H20F3N3O6/c1-4-31-18(29)16(19(30)32-5-2)24-17(28)15-14(27)10-11(3)26(25-15)13-9-7-6-8-12(13)20(21,22)23/h6-10,16H,4-5H2,1-3H3,(H,24,28)