ethyl 3-nitro-5-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-(2,2,2-trifluoroethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(2,2,2-trifluoroethylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(2,2,2-trifluoroethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(2,2,2-trifluoroethylcarbamoyl)benzoic acid ethyl ester Formula: C12H11F3N2O5 MolecularWeight: 320.22135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O5/c1-2-22-11(19)8-3-7(4-9(5-8)17(20)21)10(18)16-6-12(13,14)15/h3-5H,2,6H2,1H3,(H,16,18)