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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazino]-3-keto-propionic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c17-13(8-14(18)19)16-5-3-15(4-6-16)10-1-2-11-12(7-10)21-9-20-11/h1-2,7H,3-6,8-9H2,(H,18,19)