(2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Systemtic Name: (2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid Openeye Name: (2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid CAS Name: (2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid IUPAC Name: (2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid Traditional Name: (2R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propionic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC(C#N)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[C@H](C#N)C(=O)O

InChI

InChI=1S/C12H11NO4/c13-7-9(12(14)15)5-8-1-2-10-11(6-8)17-4-3-16-10/h1-2,6,9H,3-5H2,(H,14,15)/t9-/m1/s1