3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]amino]propionic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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