4-pent-4-ynylisoindole-1,3-dione

Systemtic Name: 4-pent-4-ynylisoindole-1,3-dione Openeye Name: 4-pent-4-ynylisoindoline-1,3-dione CAS Name: 4-pent-4-ynylisoindole-1,3-dione IUPAC Name: 4-pent-4-ynylisoindole-1,3-dione Traditional Name: 4-pent-4-ynylisoindoline-1,3-quinone Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

C#CCCCC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C13H11NO2/c1-2-3-4-6-9-7-5-8-10-11(9)13(16)14-12(10)15/h1,5,7-8H,3-4,6H2,(H,14,15,16)