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

Systemtic Name: (2R,3R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate Openeye Name: (2R,3R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate CAS Name: (2R,3R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate IUPAC Name: (2R,3R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate Traditional Name: (2R,3R)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyrate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)C(C#N)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCO2)[C@H](C#N)C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-8(10(7-14)13(15)16)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6,8,10H,4-5H2,1H3,(H,15,16)/p-1/t8-,10-/m0/s1