4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-(3-tert-butyl-5-methylol-benzyl)-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CO)CN2C(=O)COC3=C2C=C(C=C3)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CO)CN2C(=O)COC3=C2C=C(C=C3)C=O

InChI

InChI=1S/C21H23NO4/c1-21(2,3)17-7-15(6-16(8-17)12-24)10-22-18-9-14(11-23)4-5-19(18)26-13-20(22)25/h4-9,11,24H,10,12-13H2,1-3H3