[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11-7-12(2)16(13(3)8-11)22-10-15(20)21-9-14(19)18-6-4-5-17/h7-8H,4,6,9-10H2,1-3H3,(H,18,19)