ethyl 2-[5-[2-cyano-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: ethyl 2-[5-[2-cyano-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: ethyl 2-[5-[2-cyano-4-(trifluoromethylsulfonyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-cyano-4-(trifluoromethylsulfonyl)phenoxy]-2-nitrophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-cyano-4-(trifluoromethylsulfonyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-(2-cyano-4-triflyl-phenoxy)-2-nitro-phenyl]acetic acid ethyl ester Formula: C18H13F3N2O7S MolecularWeight: 458.36523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N2O7S/c1-2-29-17(24)9-11-7-13(3-5-15(11)23(25)26)30-16-6-4-14(8-12(16)10-22)31(27,28)18(19,20)21/h3-8H,2,9H2,1H3