[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H13F6NO5 MolecularWeight: 449.300639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H13F6NO5/c20-18(21,22)12-4-11(5-13(6-12)19(23,24)25)17(28)29-8-16(27)26-7-10-1-2-14-15(3-10)31-9-30-14/h1-6H,7-9H2,(H,26,27)