3-(1,3-benzodioxol-4-yl)-2-cyano-propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-4-yl)-2-cyano-propanoic acid Openeye Name: 3-(1,3-benzodioxol-4-yl)-2-cyano-propanoic acid CAS Name: 3-(1,3-benzodioxol-4-yl)-2-cyanopropanoic acid IUPAC Name: 3-(1,3-benzodioxol-4-yl)-2-cyanopropanoic acid Traditional Name: 3-(1,3-benzodioxol-4-yl)-2-cyano-propionic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CC(C#N)C(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CC(C#N)C(=O)O

InChI

InChI=1S/C11H9NO4/c12-5-8(11(13)14)4-7-2-1-3-9-10(7)16-6-15-9/h1-3,8H,4,6H2,(H,13,14)