(2-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-cyanobenzyl) ester Formula: C22H13F3N2O4S MolecularWeight: 458.40983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H13F3N2O4S/c23-22(24,25)16-9-10-20(18(11-16)27(29)30)32-19-8-4-3-7-17(19)21(28)31-13-15-6-2-1-5-14(15)12-26/h1-11H,13H2