(1-ethoxy-1-oxidanylidene-butan-2-yl) 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-butan-2-yl) 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Openeye Name: 1-ethoxycarbonylpropyl 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate CAS Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid (1-ethoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxobutan-2-yl) 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Traditional Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid 1-carbethoxypropyl ester Formula: C20H17ClF3NO7 MolecularWeight: 475.79969

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC(=O)C1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCC(C(=O)OCC)OC(=O)C1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H17ClF3NO7/c1-3-14(18(26)30-4-2)32-19(27)16-13(20(22,23)24)9-10-15(17(16)21)31-12-7-5-11(6-8-12)25(28)29/h5-10,14H,3-4H2,1-2H3