(phenylmethyl) 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoate

Systemtic Name: (phenylmethyl) 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoate Openeye Name: benzyl 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoate CAS Name: 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoate Traditional Name: 5-nitro-2-[3-(trifluoromethyl)phenyl]benzenecarboperoxoic acid benzyl ester Formula: C21H14F3NO5 MolecularWeight: 417.33477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3NO5/c22-21(23,24)16-8-4-7-15(11-16)18-10-9-17(25(27)28)12-19(18)20(26)30-29-13-14-5-2-1-3-6-14/h1-12H,13H2