2-[3,5-bis(bromanyl)-4-ethoxy-phenyl]-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-[3,5-bis(bromanyl)-4-ethoxy-phenyl]-3-oxidanylidene-pentanenitrile Openeye Name: 2-(3,5-dibromo-4-ethoxy-phenyl)-3-oxo-pentanenitrile CAS Name: 2-(3,5-dibromo-4-ethoxyphenyl)-3-oxopentanenitrile IUPAC Name: 2-(3,5-dibromo-4-ethoxyphenyl)-3-oxopentanenitrile Traditional Name: 2-(3,5-dibromo-4-ethoxy-phenyl)-3-keto-valeronitrile Formula: C13H13Br2NO2 MolecularWeight: 375.05582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)C1=CC(=C(C(=C1)Br)OCC)Br

Isomeric SMILES

CCC(=O)C(C#N)C1=CC(=C(C(=C1)Br)OCC)Br

InChI

InChI=1S/C13H13Br2NO2/c1-3-12(17)9(7-16)8-5-10(14)13(18-4-2)11(15)6-8/h5-6,9H,3-4H2,1-2H3