(2-cyano-2-methyl-butyl) 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoate

Systemtic Name: (2-cyano-2-methyl-butyl) 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoate Openeye Name: (2-cyano-2-methyl-butyl) 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoate CAS Name: 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoic acid (2-cyano-2-methylbutyl) ester IUPAC Name: (2-cyano-2-methylbutyl) 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoate Traditional Name: 2-nitro-5-[4-(trifluoromethyl)phenoxy]benzoic acid (2-cyano-2-methyl-butyl) ester Formula: C20H17F3N2O5 MolecularWeight: 422.35459

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(COC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(C)(COC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17F3N2O5/c1-3-19(2,11-24)12-29-18(26)16-10-15(8-9-17(16)25(27)28)30-14-6-4-13(5-7-14)20(21,22)23/h4-10H,3,12H2,1-2H3