N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-iodophenyl)butanediamide

Systemtic Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-iodophenyl)butanediamide Openeye Name: N'-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-(4-iodophenyl)butanediamide CAS Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-iodophenyl)butanediamide IUPAC Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-iodophenyl)butanediamide Traditional Name: N-(4-iodophenyl)-N'-[(E)-piperonylideneamino]succinamide Formula: C18H16IN3O4 MolecularWeight: 465.24181

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H16IN3O4/c19-13-2-4-14(5-3-13)21-17(23)7-8-18(24)22-20-10-12-1-6-15-16(9-12)26-11-25-15/h1-6,9-10H,7-8,11H2,(H,21,23)(H,22,24)/b20-10+