cyanomethyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: cyanomethyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: cyanomethyl 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid cyanomethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC#N)C

InChI

InChI=1S/C13H14N2O3/c1-9-5-10(2)7-11(6-9)13(17)15-8-12(16)18-4-3-14/h5-7H,4,8H2,1-2H3,(H,15,17)