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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-(4-piperonyloylpiperazino)acetic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

InChI

InChI=1S/C14H14N2O6/c17-12(9-1-2-10-11(7-9)22-8-21-10)15-3-5-16(6-4-15)13(18)14(19)20/h1-2,7H,3-6,8H2,(H,19,20)