[1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[3-keto-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]-1-methyl-ethyl] ester Formula: C20H14F3N3O4 MolecularWeight: 417.33807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H14F3N3O4/c1-11(30-19(29)13-4-2-3-12(7-13)9-24)18(28)26-10-17(27)25-15-8-14(20(21,22)23)5-6-16(15)26/h2-8,11H,10H2,1H3,(H,25,27)