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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(2,2,2-trifluoroethylamino)ethyl]phthalazine-1-carboxylate Formula: C13H9F3N3O4- MolecularWeight: 328.22347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H10F3N3O4/c14-13(15,16)6-17-9(20)5-19-11(21)8-4-2-1-3-7(8)10(18-19)12(22)23/h1-4H,5-6H2,(H,17,20)(H,22,23)/p-1