2-[2-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione Openeye Name: 2-[2-(2-phenylethynyl)aziridin-1-yl]isoindoline-1,3-dione CAS Name: 2-[2-(2-phenylethynyl)-1-aziridinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(2-phenylethynyl)ethylenimin-1-yl]isoindoline-1,3-quinone Formula: C18H12N2O2 MolecularWeight: 288.30008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1N2C(=O)C3=CC=CC=C3C2=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1C(N1N2C(=O)C3=CC=CC=C3C2=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C18H12N2O2/c21-17-15-8-4-5-9-16(15)18(22)20(17)19-12-14(19)11-10-13-6-2-1-3-7-13/h1-9,14H,12H2