N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide Formula: C18H13F4N3O4 MolecularWeight: 411.307133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=CC(=C(C=C2)C#N)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=CC(=C(C=C2)C#N)C(F)(F)F)F

InChI

InChI=1S/C18H13F4N3O4/c19-16-5-3-12(25(27)28)8-14(16)17(26)24-6-1-7-29-13-4-2-11(10-23)15(9-13)18(20,21)22/h2-5,8-9H,1,6-7H2,(H,24,26)