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

Systemtic Name: ethyl 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxidanylidene-pentanoate Openeye Name: ethyl 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxo-pentanoate CAS Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]-3-oxopentanoate Traditional Name: 3-keto-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]valeric acid ethyl ester Formula: C20H18F3NO7 MolecularWeight: 441.35463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO7/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/h4-10,12H,3,11H2,1-2H3