oxolan-3-yl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: oxolan-3-yl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: tetrahydrofuran-3-yl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-oxolanyl ester IUPAC Name: oxolan-3-yl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid tetrahydrofuran-3-yl ester Formula: C19H13F3N2O6 MolecularWeight: 422.31153

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCC1OC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H13F3N2O6/c20-19(21,22)12-1-4-17(11(7-12)9-23)29-13-2-3-16(24(26)27)15(8-13)18(25)30-14-5-6-28-10-14/h1-4,7-8,14H,5-6,10H2