benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide

Systemtic Name: benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide Openeye Name: benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide CAS Name: benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide IUPAC Name: benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide Traditional Name: benzene; 3-cyano-N-(2,4,6-trimethoxyphenyl)propionamide Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)NC(=O)CCC#N)OC.C1=CC=CC=C1

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)NC(=O)CCC#N)OC.C1=CC=CC=C1

InChI

InChI=1S/C13H16N2O4.C6H6/c1-17-9-7-10(18-2)13(11(8-9)19-3)15-12(16)5-4-6-14;1-2-4-6-5-3-1/h7-8H,4-5H2,1-3H3,(H,15,16);1-6H