[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate CAS Name: (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Traditional Name: (3aS)-4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C17H17F3N4O5 MolecularWeight: 414.33589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

C1C[C@H]2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H17F3N4O5/c18-17(19,20)8-21-16(28)23-13(25)7-29-15(27)9-3-4-11-10(6-9)22-14(26)12-2-1-5-24(11)12/h3-4,6,12H,1-2,5,7-8H2,(H,22,26)(H2,21,23,25,28)/t12-/m0/s1