2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodanyl-phenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodanyl-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2,2-dicyanovinyl)-2-ethoxy-6-iodo-phenoxy]acetamide CAS Name: 2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodophenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodophenoxy]acetamide Traditional Name: N-benzyl-2-[4-(2,2-dicyanovinyl)-2-ethoxy-6-iodo-phenoxy]acetamide Formula: C21H18IN3O3 MolecularWeight: 487.29039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C#N)I)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C#N)I)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H18IN3O3/c1-2-27-19-10-16(8-17(11-23)12-24)9-18(22)21(19)28-14-20(26)25-13-15-6-4-3-5-7-15/h3-10H,2,13-14H2,1H3,(H,25,26)