2-[2,6-bis(oxidanylidene)piperidin-3-yl]-5-(2-phenylethynyl)isoindole-1,3-dione

Systemtic Name: 2-[2,6-bis(oxidanylidene)piperidin-3-yl]-5-(2-phenylethynyl)isoindole-1,3-dione Openeye Name: 2-(2,6-dioxo-3-piperidyl)-5-(2-phenylethynyl)isoindoline-1,3-dione CAS Name: 2-(2,6-dioxo-3-piperidinyl)-5-(2-phenylethynyl)isoindole-1,3-dione IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylethynyl)isoindole-1,3-dione Traditional Name: 2-(2,6-diketo-3-piperidyl)-5-(2-phenylethynyl)isoindoline-1,3-quinone Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H14N2O4/c24-18-11-10-17(19(25)22-18)23-20(26)15-9-8-14(12-16(15)21(23)27)7-6-13-4-2-1-3-5-13/h1-5,8-9,12,17H,10-11H2,(H,22,24,25)