4-[[1,3-bis(oxidanyl)propan-2-ylamino]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[1,3-bis(oxidanyl)propan-2-ylamino]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1,3-dihydroxypropan-2-ylamino)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(1,3-dihydroxypropan-2-ylamino)methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(2-hydroxy-1-methylol-ethyl)amino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C12H17NO5 MolecularWeight: 255.26708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC(CO)CO)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNC(CO)CO)C=C(C1=O)OC

InChI

InChI=1S/C12H17NO5/c1-17-10-3-8(4-11(18-2)12(10)16)5-13-9(6-14)7-15/h3-5,9,13-15H,6-7H2,1-2H3