5-[1,3-bis(oxidanylidene)isoindol-4-yl]pentanenitrile

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-4-yl]pentanenitrile Openeye Name: 5-(1,3-dioxoisoindolin-4-yl)pentanenitrile CAS Name: 5-(1,3-dioxo-4-isoindolyl)pentanenitrile IUPAC Name: 5-(1,3-dioxoisoindol-4-yl)pentanenitrile Traditional Name: 5-(1,3-diketoisoindolin-4-yl)valeronitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCC#N)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCC#N)C(=O)NC2=O

InChI

InChI=1S/C13H12N2O2/c14-8-3-1-2-5-9-6-4-7-10-11(9)13(17)15-12(10)16/h4,6-7H,1-3,5H2,(H,15,16,17)