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

Systemtic Name: 2-(3-bromophenyl)-3-oxidanylidene-heptanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-heptanenitrile CAS Name: 2-(3-bromophenyl)-3-oxoheptanenitrile IUPAC Name: 2-(3-bromophenyl)-3-oxoheptanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-enanthonitrile Formula: C13H14BrNO MolecularWeight: 280.16036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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