2-pentanoylbenzenecarbonitrile

Systemtic Name: 2-pentanoylbenzenecarbonitrile Openeye Name: 2-pentanoylbenzonitrile CAS Name: 2-(1-oxopentyl)benzonitrile IUPAC Name: 2-pentanoylbenzonitrile Traditional Name: 2-valerylbenzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C#N

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C12H13NO/c1-2-3-8-12(14)11-7-5-4-6-10(11)9-13/h4-7H,2-3,8H2,1H3