2-[2,6-bis(oxidanylidene)piperidin-3-yl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)isoindole-1,3-dione

Systemtic Name: 2-[2,6-bis(oxidanylidene)piperidin-3-yl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)isoindole-1,3-dione Openeye Name: 2-(2,6-dioxo-3-piperidyl)-4-(3-hydroxy-3-methyl-but-1-ynyl)isoindoline-1,3-dione CAS Name: 2-(2,6-dioxo-3-piperidinyl)-4-(3-hydroxy-3-methylbut-1-ynyl)isoindole-1,3-dione IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-(3-hydroxy-3-methylbut-1-ynyl)isoindole-1,3-dione Traditional Name: 2-(2,6-diketo-3-piperidyl)-4-(3-hydroxy-3-methyl-but-1-ynyl)isoindoline-1,3-quinone Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O)O

Isomeric SMILES

CC(C)(C#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O)O

InChI

InChI=1S/C18H16N2O5/c1-18(2,25)9-8-10-4-3-5-11-14(10)17(24)20(16(11)23)12-6-7-13(21)19-15(12)22/h3-5,12,25H,6-7H2,1-2H3,(H,19,21,22)