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

Systemtic Name: 9-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]nonanoic acid Openeye Name: 9-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]nonanoic acid CAS Name: 9-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]nonanoic acid IUPAC Name: 9-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]nonanoic acid Traditional Name: 9-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]pelargonic acid Formula: C13H21NO5 MolecularWeight: 271.30954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCNC(=O)C=CC(=O)O)CCCC(=O)O

Isomeric SMILES

C(CCCCNC(=O)/C=C/C(=O)O)CCCC(=O)O

InChI

InChI=1S/C13H21NO5/c15-11(8-9-13(18)19)14-10-6-4-2-1-3-5-7-12(16)17/h8-9H,1-7,10H2,(H,14,15)(H,16,17)(H,18,19)/b9-8+