2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodanylphenyl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodanylphenyl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodophenyl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodophenyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodophenyl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(2-iodobenzylidene)amino]cinchoninamide Formula: C24H16IN3O3 MolecularWeight: 521.30661

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NN=CC5=CC=CC=C5I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)N/N=C/C5=CC=CC=C5I

InChI

InChI=1S/C24H16IN3O3/c25-19-7-3-1-5-16(19)13-26-28-24(29)18-12-21(27-20-8-4-2-6-17(18)20)15-9-10-22-23(11-15)31-14-30-22/h1-13H,14H2,(H,28,29)/b26-13+