3-ethanoyl-3-phenyl-pentanedinitrile

Systemtic Name: 3-ethanoyl-3-phenyl-pentanedinitrile Openeye Name: 3-acetyl-3-phenyl-pentanedinitrile CAS Name: 3-acetyl-3-phenylpentanedinitrile IUPAC Name: 3-acetyl-3-phenylpentanedinitrile Traditional Name: 3-acetyl-3-phenyl-glutaronitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O/c1-11(16)13(7-9-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-8H2,1H3