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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 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 [2-(butylamino)-2-keto-ethyl] ester Formula: C19H20F3N3O4 MolecularWeight: 411.37501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4/c1-3-4-9-23-16(27)11-29-18(28)17-15(26)10-12(2)25(24-17)14-8-6-5-7-13(14)19(20,21)22/h5-8,10H,3-4,9,11H2,1-2H3,(H,23,27)