4-pentanoylbenzenecarbonitrile

Systemtic Name: 4-pentanoylbenzenecarbonitrile Openeye Name: 4-pentanoylbenzonitrile CAS Name: 4-(1-oxopentyl)benzonitrile IUPAC Name: 4-pentanoylbenzonitrile Traditional Name: 4-valerylbenzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3