ethyl 4-[2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodanyl-phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodanyl-phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2,2-dicyanovinyl)-2-ethoxy-6-iodo-phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodophenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2,2-dicyanoethenyl)-2-ethoxy-6-iodophenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2,2-dicyanovinyl)-2-ethoxy-6-iodo-phenoxy]acetyl]amino]benzoic acid ethyl ester Formula: C23H20IN3O5 MolecularWeight: 545.32647

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C#N)I)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C#N)I)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H20IN3O5/c1-3-30-20-11-15(9-16(12-25)13-26)10-19(24)22(20)32-14-21(28)27-18-7-5-17(6-8-18)23(29)31-4-2/h5-11H,3-4,14H2,1-2H3,(H,27,28)