6-nitro-N-[[2-(trifluoromethyloxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[[2-(trifluoromethyloxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 6-nitro-N-[2-(trifluoromethoxy)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C17H13F3N2O6/c18-17(19,20)28-13-4-2-1-3-10(13)9-21-16(23)11-7-14-15(27-6-5-26-14)8-12(11)22(24)25/h1-4,7-8H,5-6,9H2,(H,21,23)