2-[6-[2-[(2-iodanyl-3,4-dimethoxy-phenyl)methylideneamino]ethyl]-1,3-benzodioxol-5-yl]ethanenitrile

Systemtic Name: 2-[6-[2-[(2-iodanyl-3,4-dimethoxy-phenyl)methylideneamino]ethyl]-1,3-benzodioxol-5-yl]ethanenitrile Openeye Name: 2-[6-[2-[(2-iodo-3,4-dimethoxy-phenyl)methyleneamino]ethyl]-1,3-benzodioxol-5-yl]acetonitrile CAS Name: 2-[6-[2-[(2-iodo-3,4-dimethoxyphenyl)methylideneamino]ethyl]-1,3-benzodioxol-5-yl]acetonitrile IUPAC Name: 2-[6-[2-[(2-iodo-3,4-dimethoxyphenyl)methylideneamino]ethyl]-1,3-benzodioxol-5-yl]acetonitrile Traditional Name: 2-[6-[2-[(2-iodo-3,4-dimethoxy-benzylidene)amino]ethyl]-1,3-benzodioxol-5-yl]acetonitrile Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NCCC2=CC3=C(C=C2CC#N)OCO3)I)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=NCCC2=CC3=C(C=C2CC#N)OCO3)I)OC

InChI

InChI=1S/C20H19IN2O4/c1-24-16-4-3-15(19(21)20(16)25-2)11-23-8-6-14-10-18-17(26-12-27-18)9-13(14)5-7-22/h3-4,9-11H,5-6,8,12H2,1-2H3