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

Systemtic Name: methyl 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-16-12(15)6-14-9(5-13)8-2-3-10-11(4-8)18-7-17-10/h2-4,9,14H,6-7H2,1H3/t9-/m1/s1