4-oxidanyl-3-pentanoyl-benzenecarbonitrile

Systemtic Name: 4-oxidanyl-3-pentanoyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-pentanoyl-benzonitrile CAS Name: 4-hydroxy-3-(1-oxopentyl)benzonitrile IUPAC Name: 4-hydroxy-3-pentanoylbenzonitrile Traditional Name: 4-hydroxy-3-valeryl-benzonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-2-3-4-11(14)10-7-9(8-13)5-6-12(10)15/h5-7,15H,2-4H2,1H3