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

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C20H17ClF3NO7 MolecularWeight: 475.79969

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Descriptors Computed from Structure

Canonical SMILES:

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