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

Systemtic Name: 2-[3,3-bis(hydroxymethyl)-8-oxidanyl-2,4-dihydro-1,4-benzoxazin-5-yl]benzaldehyde Openeye Name: 2-[8-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-5-yl]benzaldehyde CAS Name: 2-[8-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-5-yl]benzaldehyde IUPAC Name: 2-[8-hydroxy-3,3-bis(hydroxymethyl)-2,4-dihydro-1,4-benzoxazin-5-yl]benzaldehyde Traditional Name: 2-(8-hydroxy-3,3-dimethylol-2,4-dihydro-1,4-benzoxazin-5-yl)benzaldehyde Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C=CC(=C2O1)O)C3=CC=CC=C3C=O)(CO)CO

Isomeric SMILES

C1C(NC2=C(C=CC(=C2O1)O)C3=CC=CC=C3C=O)(CO)CO

InChI

InChI=1S/C17H17NO5/c19-7-11-3-1-2-4-12(11)13-5-6-14(22)16-15(13)18-17(8-20,9-21)10-23-16/h1-7,18,20-22H,8-10H2