N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]propanediamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]propanediamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]propanediamide CAS Name: N-(3-chloro-4-methylphenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide IUPAC Name: N-(3-chloro-4-methylphenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]malonamide Formula: C21H19ClIN3O4 MolecularWeight: 539.75073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)I)OCC#C)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)I)OCC#C)OC)Cl

InChI

InChI=1S/C21H19ClIN3O4/c1-4-7-30-21-17(23)8-14(9-18(21)29-3)12-24-26-20(28)11-19(27)25-15-6-5-13(2)16(22)10-15/h1,5-6,8-10,12H,7,11H2,2-3H3,(H,25,27)(H,26,28)