ethyl 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxidanyl-pentanoate

Systemtic Name: ethyl 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxidanyl-pentanoate Openeye Name: ethyl 3-hydroxy-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate CAS Name: 3-hydroxy-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate Traditional Name: 3-hydroxy-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]valeric acid ethyl ester Formula: C20H20F3NO7 MolecularWeight: 443.37051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)CC(C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C20H20F3NO7/c1-3-29-19(26)11-17(25)12(2)30-14-5-7-15(8-6-14)31-18-9-4-13(20(21,22)23)10-16(18)24(27)28/h4-10,12,17,25H,3,11H2,1-2H3