N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Formula: C18H14F2N2O6 MolecularWeight: 392.310366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C18H14F2N2O6/c1-2-3-11-8-13(22(24)25)5-7-14(11)26-10-17(23)21-12-4-6-15-16(9-12)28-18(19,20)27-15/h2,4-9H,1,3,10H2,(H,21,23)