(3-nitro-1-benzofuran-5-yl) 4-(trifluoromethyl)benzoate

Systemtic Name: (3-nitro-1-benzofuran-5-yl) 4-(trifluoromethyl)benzoate Openeye Name: (3-nitrobenzofuran-5-yl) 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (3-nitro-5-benzofuranyl) ester IUPAC Name: (3-nitro-1-benzofuran-5-yl) 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (3-nitrobenzofuran-5-yl) ester Formula: C16H8F3NO5 MolecularWeight: 351.23363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H8F3NO5/c17-16(18,19)10-3-1-9(2-4-10)15(21)25-11-5-6-14-12(7-11)13(8-24-14)20(22)23/h1-8H