[(1R)-1-cyanoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H11F3N2O4S MolecularWeight: 396.34045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11F3N2O4S/c1-10(9-21)26-16(23)12-4-2-3-5-14(12)27-15-7-6-11(17(18,19)20)8-13(15)22(24)25/h2-8,10H,1H3/t10-/m1/s1