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

Systemtic Name: 2-methyl-5-[3-(2-phenylethynyl)phenoxy]isoindole-1,3-dione Openeye Name: 2-methyl-5-[3-(2-phenylethynyl)phenoxy]isoindoline-1,3-dione CAS Name: 2-methyl-5-[3-(2-phenylethynyl)phenoxy]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[3-(2-phenylethynyl)phenoxy]isoindole-1,3-dione Traditional Name: 2-methyl-5-[3-(2-phenylethynyl)phenoxy]isoindoline-1,3-quinone Formula: C23H15NO3 MolecularWeight: 353.3701

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H15NO3/c1-24-22(25)20-13-12-19(15-21(20)23(24)26)27-18-9-5-8-17(14-18)11-10-16-6-3-2-4-7-16/h2-9,12-15H,1H3