5-(2-chloranylethanoyl)-3,3-bis(hydroxymethyl)-8a-oxidanyl-2,4-dihydro-1,4-benzoxazin-8-one

Systemtic Name: 5-(2-chloranylethanoyl)-3,3-bis(hydroxymethyl)-8a-oxidanyl-2,4-dihydro-1,4-benzoxazin-8-one Openeye Name: 5-(2-chloroacetyl)-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one CAS Name: 5-(2-chloro-1-oxoethyl)-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one IUPAC Name: 5-(2-chloroacetyl)-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one Traditional Name: 5-(2-chloroacetyl)-8a-hydroxy-3,3-dimethylol-2,4-dihydro-1,4-benzoxazin-8-one Formula: C12H14ClNO6 MolecularWeight: 303.69566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C=CC(=O)C2(O1)O)C(=O)CCl)(CO)CO

Isomeric SMILES

C1C(NC2=C(C=CC(=O)C2(O1)O)C(=O)CCl)(CO)CO

InChI

InChI=1S/C12H14ClNO6/c13-3-8(17)7-1-2-9(18)12(19)10(7)14-11(4-15,5-16)6-20-12/h1-2,14-16,19H,3-6H2