5-ethynyl-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-ethynyl-2-methyl-isoindole-1,3-dione Openeye Name: 5-ethynyl-2-methyl-isoindoline-1,3-dione CAS Name: 5-ethynyl-2-methylisoindole-1,3-dione IUPAC Name: 5-ethynyl-2-methylisoindole-1,3-dione Traditional Name: 5-ethynyl-2-methyl-isoindoline-1,3-quinone Formula: C11H7NO2 MolecularWeight: 185.17878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C#C

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C#C

InChI

InChI=1S/C11H7NO2/c1-3-7-4-5-8-9(6-7)11(14)12(2)10(8)13/h1,4-6H,2H3