(2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-(1,3-benzodioxole-5-carbonylamino)-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-(1,3-benzodioxole-5-carbonylamino)-3-hydroxypropanoic acid Traditional Name: (2S)-3-hydroxy-2-(piperonyloylamino)propionic acid Formula: C11H11NO6 MolecularWeight: 253.20814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C11H11NO6/c13-4-7(11(15)16)12-10(14)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,13H,4-5H2,(H,12,14)(H,15,16)/t7-/m0/s1