[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C11H9F3N2O5 MolecularWeight: 306.19477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C11H9F3N2O5/c12-11(13,14)6-15-9(17)5-21-10(18)7-2-1-3-8(4-7)16(19)20/h1-4H,5-6H2,(H,15,17)