2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione

Systemtic Name: 2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione Openeye Name: 2-methyl-5-(2-phenylethynyl)isoindoline-1,3-dione CAS Name: 2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione IUPAC Name: 2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione Traditional Name: 2-methyl-5-(2-phenylethynyl)isoindoline-1,3-quinone Formula: C17H11NO2 MolecularWeight: 261.27474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C17H11NO2/c1-18-16(19)14-10-9-13(11-15(14)17(18)20)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3