methyl 5-[2-iodanyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: methyl 5-[2-iodanyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: methyl 5-[2-iodo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-iodo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[2-iodo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-iodo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid methyl ester Formula: C15H9F3INO5 MolecularWeight: 467.13534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)I)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3INO5/c1-24-14(21)10-7-9(3-4-12(10)20(22)23)25-13-5-2-8(6-11(13)19)15(16,17)18/h2-7H,1H3