[2,2,2-tris(fluoranyl)-1-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [2,2,2-tris(fluoranyl)-1-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate Openeye Name: [2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl] ester Formula: C13H9F3N2O4 MolecularWeight: 314.21677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=C1)C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H9F3N2O4/c14-13(15,16)11(10-2-1-7-17-10)22-12(19)8-3-5-9(6-4-8)18(20)21/h1-7,11,17H