5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-oxidanylidene-pentanenitrile

Systemtic Name: 5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-oxidanylidene-pentanenitrile Openeye Name: 5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-oxo-pentanenitrile CAS Name: 5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-oxopentanenitrile IUPAC Name: 5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-oxopentanenitrile Traditional Name: 5-(4-bromophenyl)-2,3-bis(4-chlorophenyl)-5-keto-valeronitrile Formula: C23H16BrCl2NO MolecularWeight: 473.18924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Br)C(C#N)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Br)C(C#N)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H16BrCl2NO/c24-18-7-1-17(2-8-18)23(28)13-21(15-3-9-19(25)10-4-15)22(14-27)16-5-11-20(26)12-6-16/h1-12,21-22H,13H2