2-(1,3-benzodioxol-5-yl)-3-(3-iodanylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(3-iodanylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(3-iodophenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(3-iodophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(3-iodophenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(3-iodophenyl)-3-keto-propionitrile Formula: C16H10INO3 MolecularWeight: 391.15997

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C#N)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H10INO3/c17-12-3-1-2-11(6-12)16(19)13(8-18)10-4-5-14-15(7-10)21-9-20-14/h1-7,13H,9H2