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

Systemtic Name: 3,3-bis(hydroxymethyl)-8a-oxidanyl-5-(phenylcarbonyl)-2,4-dihydro-1,4-benzoxazin-8-one Openeye Name: 5-benzoyl-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one CAS Name: 5-benzoyl-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one IUPAC Name: 5-benzoyl-8a-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-8-one Traditional Name: 5-benzoyl-8a-hydroxy-3,3-dimethylol-2,4-dihydro-1,4-benzoxazin-8-one Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C=CC(=O)C2(O1)O)C(=O)C3=CC=CC=C3)(CO)CO

Isomeric SMILES

C1C(NC2=C(C=CC(=O)C2(O1)O)C(=O)C3=CC=CC=C3)(CO)CO

InChI

InChI=1S/C17H17NO6/c19-8-16(9-20)10-24-17(23)13(21)7-6-12(15(17)18-16)14(22)11-4-2-1-3-5-11/h1-7,18-20,23H,8-10H2