6-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-hydroxy-6-[[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-2-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-2-hydroxycyclohexa-2,4-dien-1-one Traditional Name: 2-hydroxy-6-[[(2-hydroxy-1,1-dimethylol-ethyl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C11H15NO5 MolecularWeight: 241.2405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC(CO)(CO)CO)C(=O)C(=C1)O

Isomeric SMILES

C1=CC(=CNC(CO)(CO)CO)C(=O)C(=C1)O

InChI

InChI=1S/C11H15NO5/c13-5-11(6-14,7-15)12-4-8-2-1-3-9(16)10(8)17/h1-4,12-16H,5-7H2