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

Systemtic Name: 2-[(2R,3R)-2-(phenylcarbonyl)-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2R,3R)-2-benzoyl-3-(2-phenylethynyl)aziridin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2R,3R)-2-benzoyl-3-(2-phenylethynyl)-1-aziridinyl]isoindole-1,3-dione IUPAC Name: 2-[(2R,3R)-2-benzoyl-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione Traditional Name: 2-[(2R,3R)-2-benzoyl-3-(2-phenylethynyl)ethylenimin-1-yl]isoindoline-1,3-quinone Formula: C25H16N2O3 MolecularWeight: 392.40614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C(N2N3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#C[C@@H]2[C@@H](N2N3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H16N2O3/c28-23(18-11-5-2-6-12-18)22-21(16-15-17-9-3-1-4-10-17)26(22)27-24(29)19-13-7-8-14-20(19)25(27)30/h1-14,21-22H/t21-,22-,26?/m1/s1