3-oxidanylidene-5-phenylmethoxy-pentanenitrile

Systemtic Name: 3-oxidanylidene-5-phenylmethoxy-pentanenitrile Openeye Name: 5-benzyloxy-3-oxo-pentanenitrile CAS Name: 3-oxo-5-phenylmethoxypentanenitrile IUPAC Name: 3-oxo-5-phenylmethoxypentanenitrile Traditional Name: 5-benzoxy-3-keto-valeronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c13-8-6-12(14)7-9-15-10-11-4-2-1-3-5-11/h1-5H,6-7,9-10H2