3-(2-azaniumylethylcarbamoyl)-2,5,6-tris(fluoranyl)phenolate

Systemtic Name: 3-(2-azaniumylethylcarbamoyl)-2,5,6-tris(fluoranyl)phenolate Openeye Name: 3-(2-azaniumylethylcarbamoyl)-2,5,6-trifluoro-phenolate CAS Name: 3-[(2-ammonioethylamino)-oxomethyl]-2,5,6-trifluorophenolate IUPAC Name: 3-(2-azaniumylethylcarbamoyl)-2,5,6-trifluorophenolate Traditional Name: 3-(2-ammonioethylcarbamoyl)-2,5,6-trifluoro-phenolate Formula: C9H9F3N2O2 MolecularWeight: 234.17517

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1F)F)[O-])F)C(=O)NCC[NH3+]

Isomeric SMILES

C1=C(C(=C(C(=C1F)F)[O-])F)C(=O)NCC[NH3+]

InChI

InChI=1S/C9H9F3N2O2/c10-5-3-4(9(16)14-2-1-13)6(11)8(15)7(5)12/h3,15H,1-2,13H2,(H,14,16)