(2R)-3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate

Systemtic Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate Openeye Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-cyano-propanoate CAS Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate IUPAC Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate Traditional Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-cyano-propionate Formula: C11H8NO4- MolecularWeight: 218.18552

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C#N)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@H](C#N)C(=O)[O-]

InChI

InChI=1S/C11H9NO4/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-2,4,8H,3,6H2,(H,13,14)/p-1/t8-/m1/s1