ethyl 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethanoate Openeye Name: ethyl 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]acetate CAS Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]acetate Traditional Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]acetic acid ethyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CN[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H14N2O4/c1-2-17-13(16)7-15-10(6-14)9-3-4-11-12(5-9)19-8-18-11/h3-5,10,15H,2,7-8H2,1H3/t10-/m1/s1