4-(1-oxidanylidenehexan-3-yl)benzenecarbonitrile

Systemtic Name: 4-(1-oxidanylidenehexan-3-yl)benzenecarbonitrile Openeye Name: 4-[1-(2-oxoethyl)butyl]benzonitrile CAS Name: 4-(1-oxohexan-3-yl)benzonitrile IUPAC Name: 4-(1-oxohexan-3-yl)benzonitrile Traditional Name: 4-[1-(2-ketoethyl)butyl]benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-2-3-12(8-9-15)13-6-4-11(10-14)5-7-13/h4-7,9,12H,2-3,8H2,1H3