3-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-4-keto-4-(piperonylamino)butyrate; 2,2,2-trifluoroacetate Formula: C14H13F3N2O7-2 MolecularWeight: 378.25743

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H14N2O5.C2HF3O2/c13-8(4-11(15)16)12(17)14-5-7-1-2-9-10(3-7)19-6-18-9;3-2(4,5)1(6)7/h1-3,8H,4-6,13H2,(H,14,17)(H,15,16);(H,6,7)/p-2