5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid

Systemtic Name: 5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Openeye Name: 5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid CAS Name: 5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid IUPAC Name: 5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid Traditional Name: 5-[3-cyano-2-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Formula: C15H7F3N2O5 MolecularWeight: 352.22169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H7F3N2O5/c16-15(17,18)13-8(7-19)2-1-3-12(13)25-9-4-5-11(20(23)24)10(6-9)14(21)22/h1-6H,(H,21,22)