2-cyanoethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid 2-cyanoethyl ester Formula: C12H9F3N2O4S MolecularWeight: 334.27107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)OCCC#N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)OCCC#N

InChI

InChI=1S/C12H9F3N2O4S/c13-12(14,15)8-2-3-10(9(6-8)17(19)20)22-7-11(18)21-5-1-4-16/h2-3,6H,1,5,7H2