N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide Formula: C18H13F7N2O4 MolecularWeight: 454.295642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F7N2O4/c19-15-3-2-12(27(29)30)9-14(15)16(28)26-4-1-5-31-13-7-10(17(20,21)22)6-11(8-13)18(23,24)25/h2-3,6-9H,1,4-5H2,(H,26,28)