2-pentyl-6-phenyl-benzenecarbonitrile oxide

Systemtic Name: 2-pentyl-6-phenyl-benzenecarbonitrile oxide Openeye Name: 2-pentyl-6-phenyl-benzonitrile oxide CAS Name: 2-pentyl-6-phenylbenzonitrile oxide IUPAC Name: 2-pentyl-6-phenylbenzonitrile oxide Traditional Name: 2-amyl-6-phenyl-benzonitrile oxide Formula: C18H19NO MolecularWeight: 265.34956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1C#[N+][O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=CC(=C1C#[N+][O-])C2=CC=CC=C2

InChI

InChI=1S/C18H19NO/c1-2-3-5-9-16-12-8-13-17(18(16)14-19-20)15-10-6-4-7-11-15/h4,6-8,10-13H,2-3,5,9H2,1H3