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

Systemtic Name: (1-ethoxy-1-oxidanylidene-butan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-ethoxycarbonylpropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-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-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(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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