2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazino]-2-keto-acetic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

InChI

InChI=1S/C13H14N2O5/c16-12(13(17)18)15-5-3-14(4-6-15)9-1-2-10-11(7-9)20-8-19-10/h1-2,7H,3-6,8H2,(H,17,18)