[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]acetic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c24-19(9-7-15-4-2-1-3-5-15)23-12-21(26)27-13-20(25)22-11-16-6-8-17-18(10-16)29-14-28-17/h1-10H,11-14H2,(H,22,25)(H,23,24)/b9-7+