[1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(C(=O)NCC(F)(F)F)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C15H14F3N3O4/c1-8(12(22)19-7-15(16,17)18)25-14(24)11-9-5-3-4-6-10(9)13(23)21(2)20-11/h3-6,8H,7H2,1-2H3,(H,19,22)