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

Systemtic Name: (1-ethoxy-1-oxidanylidene-pentan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-ethoxycarbonylbutyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-1-oxopentan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopentan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 1-carbethoxybutyl ester Formula: C21H19ClF3NO7 MolecularWeight: 489.82627

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C21H19ClF3NO7/c1-3-5-18(20(28)31-4-2)33-19(27)14-11-13(7-8-16(14)26(29)30)32-17-9-6-12(10-15(17)22)21(23,24)25/h6-11,18H,3-5H2,1-2H3