2-(4-bromophenyl)-4-ethyl-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(4-bromophenyl)-4-ethyl-3-oxidanylidene-octanenitrile Openeye Name: 2-(4-bromophenyl)-4-ethyl-3-oxo-octanenitrile CAS Name: 2-(4-bromophenyl)-4-ethyl-3-oxooctanenitrile IUPAC Name: 2-(4-bromophenyl)-4-ethyl-3-oxooctanenitrile Traditional Name: 2-(4-bromophenyl)-4-ethyl-3-keto-caprylonitrile Formula: C16H20BrNO MolecularWeight: 322.2401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO/c1-3-5-6-12(4-2)16(19)15(11-18)13-7-9-14(17)10-8-13/h7-10,12,15H,3-6H2,1-2H3