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

Systemtic Name: oxolan-3-yl 5-[2-bromanyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: tetrahydrofuran-3-yl 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-oxolanyl ester IUPAC Name: oxolan-3-yl 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid tetrahydrofuran-3-yl ester Formula: C18H13BrF3NO6 MolecularWeight: 476.19813

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF3NO6/c19-14-7-10(18(20,21)22)1-4-16(14)28-11-2-3-15(23(25)26)13(8-11)17(24)29-12-5-6-27-9-12/h1-4,7-8,12H,5-6,9H2