2-(3-bromophenyl)-4-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(3-bromophenyl)-4-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(3-bromophenyl)-4-methyl-3-oxo-hexanenitrile CAS Name: 2-(3-bromophenyl)-4-methyl-3-oxohexanenitrile IUPAC Name: 2-(3-bromophenyl)-4-methyl-3-oxohexanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-4-methyl-hexanenitrile Formula: C13H14BrNO MolecularWeight: 280.16036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO/c1-3-9(2)13(16)12(8-15)10-5-4-6-11(14)7-10/h4-7,9,12H,3H2,1-2H3