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

Systemtic Name: 4-[[2,3-bis(oxidanyl)propylamino]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(2,3-dihydroxypropylamino)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(2,3-dihydroxypropylamino)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(2,3-dihydroxypropylamino)methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(glycerylamino)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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