2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentanoic acid

Systemtic Name: 2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]valeric acid Formula: C9H13NO5 MolecularWeight: 215.20322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCC(C(=O)O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C9H13NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)/b5-4+