2,2,2-tris(fluoranyl)ethyl 2-nitrobenzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-nitrobenzoate Openeye Name: 2,2,2-trifluoroethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 2,2,2-trifluoroethyl ester Formula: C9H6F3NO4 MolecularWeight: 249.14345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3NO4/c10-9(11,12)5-17-8(14)6-3-1-2-4-7(6)13(15)16/h1-4H,5H2