3-[[4-[[2-(2-iodanylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-[[2-(2-iodanylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-[[2-(2-iodophenyl)-5-oxo-oxazol-4-ylidene]methyl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[[2-(2-iodophenyl)-5-oxo-4-oxazolylidene]methyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[[2-(2-iodophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[[2-(2-iodophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-N-methyl-anilino]propionitrile Formula: C20H16IN3O2 MolecularWeight: 457.26441

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3I

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3I

InChI

InChI=1S/C20H16IN3O2/c1-24(12-4-11-22)15-9-7-14(8-10-15)13-18-20(25)26-19(23-18)16-5-2-3-6-17(16)21/h2-3,5-10,13H,4,12H2,1H3