(1-ethoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (1-ethoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (1-ethoxycarbonyl-2-hydroxy-propyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-3-hydroxy-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-3-hydroxy-1-oxobutan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (1-carbethoxy-2-hydroxy-propyl) ester Formula: C20H17ClF3NO8 MolecularWeight: 491.79909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3NO8/c1-3-31-19(28)17(10(2)26)33-18(27)13-9-12(5-6-15(13)25(29)30)32-16-7-4-11(8-14(16)21)20(22,23)24/h4-10,17,26H,3H2,1-2H3