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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 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-keto-2-(propargylamino)ethyl] ester Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H14F3N3O4/c1-3-8-22-15(26)10-28-17(27)16-14(25)9-11(2)24(23-16)13-7-5-4-6-12(13)18(19,20)21/h1,4-7,9H,8,10H2,2H3,(H,22,26)