2-(4-bromophenyl)-5-ethoxy-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-bromophenyl)-5-ethoxy-3-oxidanylidene-pentanenitrile Openeye Name: 2-(4-bromophenyl)-5-ethoxy-3-oxo-pentanenitrile CAS Name: 2-(4-bromophenyl)-5-ethoxy-3-oxopentanenitrile IUPAC Name: 2-(4-bromophenyl)-5-ethoxy-3-oxopentanenitrile Traditional Name: 2-(4-bromophenyl)-5-ethoxy-3-keto-valeronitrile Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)C(C#N)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOCCC(=O)C(C#N)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H14BrNO2/c1-2-17-8-7-13(16)12(9-15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-8H2,1H3