2-ethynyl-2-[[(E)-3-oxidanylidenebut-1-enyl]amino]pentanedioic acid

Systemtic Name: 2-ethynyl-2-[[(E)-3-oxidanylidenebut-1-enyl]amino]pentanedioic acid Openeye Name: 2-ethynyl-2-[[(E)-3-oxobut-1-enyl]amino]pentanedioic acid CAS Name: 2-ethynyl-2-[[(E)-3-oxobut-1-enyl]amino]pentanedioic acid IUPAC Name: 2-ethynyl-2-[[(E)-3-oxobut-1-enyl]amino]pentanedioic acid Traditional Name: 2-ethynyl-2-[[(E)-3-ketobut-1-enyl]amino]glutaric acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CNC(CCC(=O)O)(C#C)C(=O)O

Isomeric SMILES

CC(=O)/C=C/NC(CCC(=O)O)(C#C)C(=O)O

InChI

InChI=1S/C11H13NO5/c1-3-11(10(16)17,6-4-9(14)15)12-7-5-8(2)13/h1,5,7,12H,4,6H2,2H3,(H,14,15)(H,16,17)/b7-5+