N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methylideneamino]propanediamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methylideneamino]propanediamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-ethoxy-5-iodo-4-propoxy-phenyl)methyleneamino]propanediamide CAS Name: N-(3-chloro-4-methylphenyl)-N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]propanediamide IUPAC Name: N-(3-chloro-4-methylphenyl)-N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]propanediamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-ethoxy-5-iodo-4-propoxy-benzylidene)amino]malonamide Formula: C22H25ClIN3O4 MolecularWeight: 557.80907

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)C)Cl)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)C)Cl)OCC

InChI

InChI=1S/C22H25ClIN3O4/c1-4-8-31-22-18(24)9-15(10-19(22)30-5-2)13-25-27-21(29)12-20(28)26-16-7-6-14(3)17(23)11-16/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,26,28)(H,27,29)