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

Systemtic Name: 2-(3-bromophenyl)-4-methyl-3-oxidanylidene-heptanenitrile Openeye Name: 2-(3-bromophenyl)-4-methyl-3-oxo-heptanenitrile CAS Name: 2-(3-bromophenyl)-4-methyl-3-oxoheptanenitrile IUPAC Name: 2-(3-bromophenyl)-4-methyl-3-oxoheptanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-4-methyl-enanthonitrile Formula: C14H16BrNO MolecularWeight: 294.18694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO/c1-3-5-10(2)14(17)13(9-16)11-6-4-7-12(15)8-11/h4,6-8,10,13H,3,5H2,1-2H3