methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-oxidanyl-propanoate Openeye Name: methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-hydroxy-propanoate CAS Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-hydroxypropanoate Traditional Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-(cyanomethyl)-3-hydroxy-propionic acid methyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#N)C(C1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

COC(=O)[C@H](CC#N)[C@@H](C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C13H13NO5/c1-17-13(16)9(4-5-14)12(15)8-2-3-10-11(6-8)19-7-18-10/h2-3,6,9,12,15H,4,7H2,1H3/t9-,12-/m1/s1