[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4/c1-2-26-18(28)15-6-4-3-5-14(15)17(25-26)19(29)30-11-16(27)24-13-9-7-12(8-10-13)20(21,22)23/h3-10H,2,11H2,1H3,(H,24,27)