5-[5-ethynyl-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid

Systemtic Name: 5-[5-ethynyl-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid Openeye Name: 5-(5-ethynyl-1,3-dioxo-isoindolin-2-yl)pentanoic acid CAS Name: 5-(5-ethynyl-1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 5-(5-ethynyl-1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 5-(5-ethynyl-1,3-diketo-isoindolin-2-yl)valeric acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCCC(=O)O

Isomeric SMILES

C#CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCCC(=O)O

InChI

InChI=1S/C15H13NO4/c1-2-10-6-7-11-12(9-10)15(20)16(14(11)19)8-4-3-5-13(17)18/h1,6-7,9H,3-5,8H2,(H,17,18)