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

Systemtic Name: (1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (1-ethoxycarbonyl-2-methyl-propyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-3-methyl-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-3-methyl-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-methyl-propyl) ester Formula: C21H19ClF3NO7 MolecularWeight: 489.82627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(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)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/C21H19ClF3NO7/c1-4-31-20(28)18(11(2)3)33-19(27)14-10-13(6-7-16(14)26(29)30)32-17-8-5-12(9-15(17)22)21(23,24)25/h5-11,18H,4H2,1-3H3