(E)-6-azanyl-2-methylidene-6-oxidanylidene-3,3-bis(2-oxidanylidenepropyl)hex-4-enoic acid

Systemtic Name: (E)-6-azanyl-2-methylidene-6-oxidanylidene-3,3-bis(2-oxidanylidenepropyl)hex-4-enoic acid Openeye Name: (E)-3,3-diacetonyl-6-amino-2-methylene-6-oxo-hex-4-enoic acid CAS Name: (E)-6-amino-2-methylene-6-oxo-3,3-bis(2-oxopropyl)-4-hexenoic acid IUPAC Name: (E)-6-amino-2-methylidene-6-oxo-3,3-bis(2-oxopropyl)hex-4-enoic acid Traditional Name: (E)-3,3-diacetonyl-6-amino-6-keto-2-methylene-hex-4-enoic acid Formula: C13H17NO5 MolecularWeight: 267.27778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=O)C)(C=CC(=O)N)C(=C)C(=O)O

Isomeric SMILES

CC(=O)CC(CC(=O)C)(/C=C/C(=O)N)C(=C)C(=O)O

InChI

InChI=1S/C13H17NO5/c1-8(15)6-13(7-9(2)16,5-4-11(14)17)10(3)12(18)19/h4-5H,3,6-7H2,1-2H3,(H2,14,17)(H,18,19)/b5-4+