[1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C11H12F3N3O5 MolecularWeight: 323.22529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C11H12F3N3O5/c1-6(9(18)15-5-11(12,13)14)22-10(19)8-3-7(17(20)21)4-16(8)2/h3-4,6H,5H2,1-2H3,(H,15,18)