2-(3-bromophenyl)-3-oxidanylidene-3-pyridin-3-yl-propanenitrile

Systemtic Name: 2-(3-bromophenyl)-3-oxidanylidene-3-pyridin-3-yl-propanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-3-(3-pyridyl)propanenitrile CAS Name: 2-(3-bromophenyl)-3-oxo-3-(3-pyridinyl)propanenitrile IUPAC Name: 2-(3-bromophenyl)-3-oxo-3-pyridin-3-ylpropanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-3-(3-pyridyl)propionitrile Formula: C14H9BrN2O MolecularWeight: 301.13806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(C#N)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(C#N)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H9BrN2O/c15-12-5-1-3-10(7-12)13(8-16)14(18)11-4-2-6-17-9-11/h1-7,9,13H