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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]butanediamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]butanediamide CAS Name: N-(3-chloro-4-methylphenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]butanediamide IUPAC Name: N-(3-chloro-4-methylphenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]butanediamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]succinamide Formula: C22H21ClIN3O4 MolecularWeight: 553.77731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClIN3O4/c1-4-9-31-22-18(24)10-15(11-19(22)30-3)13-25-27-21(29)8-7-20(28)26-16-6-5-14(2)17(23)12-16/h1,5-6,10-13H,7-9H2,2-3H3,(H,26,28)(H,27,29)