4-[bis(fluoranyl)methoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[bis(fluoranyl)methoxy]-3-nitro-benzoic acid Openeye Name: 4-(difluoromethoxy)-3-nitro-benzoic acid CAS Name: 4-(difluoromethoxy)-3-nitrobenzoic acid IUPAC Name: 4-(difluoromethoxy)-3-nitrobenzoic acid Traditional Name: 4-(difluoromethoxy)-3-nitro-benzoic acid Formula: C8H5F2NO5 MolecularWeight: 233.125806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OC(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C8H5F2NO5/c9-8(10)16-6-2-1-4(7(12)13)3-5(6)11(14)15/h1-3,8H,(H,12,13)