5-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]pentanoic acid

Systemtic Name: 5-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]pentanoic acid Openeye Name: 5-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]pentanoic acid CAS Name: 5-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]pentanoic acid IUPAC Name: 5-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]pentanoic acid Traditional Name: 5-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]valeric acid Formula: C10H14N2O4 MolecularWeight: 226.22916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NCCCCC(=O)O)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NCCCCC(=O)O)/O)/C#N

InChI

InChI=1S/C10H14N2O4/c1-7(13)8(6-11)10(16)12-5-3-2-4-9(14)15/h12,16H,2-5H2,1H3,(H,14,15)/b10-8+