(5-ethoxy-5-oxidanylidene-pentyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (5-ethoxy-5-oxidanylidene-pentyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (5-ethoxy-5-oxo-pentyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (5-ethoxy-5-oxopentyl) ester IUPAC Name: (5-ethoxy-5-oxopentyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (5-ethoxy-5-keto-pentyl) ester Formula: C21H19ClF3NO7 MolecularWeight: 489.82627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF3NO7/c1-2-31-19(27)5-3-4-10-32-20(28)15-12-14(7-8-17(15)26(29)30)33-18-9-6-13(11-16(18)22)21(23,24)25/h6-9,11-12H,2-5,10H2,1H3