N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-[(E)-piperonylideneamino]propionamide Formula: C19H14F6N2O3 MolecularWeight: 432.316479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H14F6N2O3/c20-18(21,22)13-5-11(6-14(8-13)19(23,24)25)2-4-17(28)27-26-9-12-1-3-15-16(7-12)30-10-29-15/h1,3,5-9H,2,4,10H2,(H,27,28)/b26-9+