2-[3,3-bis(hydroxymethyl)-8a-oxidanyl-8-oxidanylidene-2,4-dihydro-1,4-benzoxazin-5-yl]ethanoate

Systemtic Name: 2-[3,3-bis(hydroxymethyl)-8a-oxidanyl-8-oxidanylidene-2,4-dihydro-1,4-benzoxazin-5-yl]ethanoate Openeye Name: 2-[8a-hydroxy-3,3-bis(hydroxymethyl)-8-oxo-2,4-dihydro-1,4-benzoxazin-5-yl]acetate CAS Name: 2-[8a-hydroxy-3,3-bis(hydroxymethyl)-8-oxo-2,4-dihydro-1,4-benzoxazin-5-yl]acetate IUPAC Name: 2-[8a-hydroxy-3,3-bis(hydroxymethyl)-8-oxo-2,4-dihydro-1,4-benzoxazin-5-yl]acetate Traditional Name: 2-(8a-hydroxy-8-keto-3,3-dimethylol-2,4-dihydro-1,4-benzoxazin-5-yl)acetate Formula: C12H14NO7- MolecularWeight: 284.24206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C=CC(=O)C2(O1)O)CC(=O)[O-])(CO)CO

Isomeric SMILES

C1C(NC2=C(C=CC(=O)C2(O1)O)CC(=O)[O-])(CO)CO

InChI

InChI=1S/C12H15NO7/c14-4-11(5-15)6-20-12(19)8(16)2-1-7(3-9(17)18)10(12)13-11/h1-2,13-15,19H,3-6H2,(H,17,18)/p-1