2-cyano-N-[(2-cyanoethanoylamino)-(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-cyano-N-[(2-cyanoethanoylamino)-(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-cyano-N-[[(2-cyanoacetyl)amino]-(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-cyano-N-[[(2-cyano-1-oxoethyl)amino]-(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-cyano-N-[[(2-cyanoacetyl)amino]-(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-cyano-N-[[(2-cyanoacetyl)amino]-(3,4,5-trimethoxyphenyl)methyl]acetamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(NC(=O)CC#N)NC(=O)CC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(NC(=O)CC#N)NC(=O)CC#N

InChI

InChI=1S/C16H18N4O5/c1-23-11-8-10(9-12(24-2)15(11)25-3)16(19-13(21)4-6-17)20-14(22)5-7-18/h8-9,16H,4-5H2,1-3H3,(H,19,21)(H,20,22)