N-[3-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[3-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[3-[[3,5-bis(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]propyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[3-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[3-[[3,5-bis(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-fluoro-5-nitro-benzamide Formula: C17H12F7N3O4 MolecularWeight: 455.283702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=C(C=C(C=N2)C(F)(F)F)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=C(C=C(C=N2)C(F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C17H12F7N3O4/c18-13-3-2-10(27(29)30)7-11(13)14(28)25-4-1-5-31-15-12(17(22,23)24)6-9(8-26-15)16(19,20)21/h2-3,6-8H,1,4-5H2,(H,25,28)