3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]propanoate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate Traditional Name: 3-(piperonylcarbamoylamino)propionate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O5/c15-11(16)3-4-13-12(17)14-6-8-1-2-9-10(5-8)19-7-18-9/h1-2,5H,3-4,6-7H2,(H,15,16)(H2,13,14,17)/p-1