(2R,3S)-2-cyano-3-(furan-2-yl)-4,4,5-trimethoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R,3S)-2-cyano-3-(furan-2-yl)-4,4,5-trimethoxy-5-oxidanylidene-pentanoic acid Openeye Name: (2R,3S)-2-cyano-3-(2-furyl)-4,4,5-trimethoxy-5-oxo-pentanoic acid CAS Name: (2R,3S)-2-cyano-3-(2-furanyl)-4,4,5-trimethoxy-5-oxopentanoic acid IUPAC Name: (2R,3S)-2-cyano-3-(furan-2-yl)-4,4,5-trimethoxy-5-oxopentanoic acid Traditional Name: (2R,3S)-2-cyano-3-(2-furyl)-5-keto-4,4,5-trimethoxy-valeric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CO1)C(C#N)C(=O)O)(OC)OC

Isomeric SMILES

COC(=O)C([C@H](C1=CC=CO1)[C@H](C#N)C(=O)O)(OC)OC

InChI

InChI=1S/C13H15NO7/c1-18-12(17)13(19-2,20-3)10(8(7-14)11(15)16)9-5-4-6-21-9/h4-6,8,10H,1-3H3,(H,15,16)/t8-,10-/m0/s1