3-pentanoylbenzenecarbonitrile

Systemtic Name: 3-pentanoylbenzenecarbonitrile Openeye Name: 3-pentanoylbenzonitrile CAS Name: 3-(1-oxopentyl)benzonitrile IUPAC Name: 3-pentanoylbenzonitrile Traditional Name: 3-valerylbenzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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