4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-8-fluoranyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-8-fluoranyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-8-fluoro-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-8-fluoro-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[[3-tert-butyl-5-(hydroxymethyl)phenyl]methyl]-8-fluoro-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-(3-tert-butyl-5-methylol-benzyl)-8-fluoro-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CO)CN2C(=O)COC3=C2C=C(C=C3F)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CO)CN2C(=O)COC3=C2C=C(C=C3F)C=O

InChI

InChI=1S/C21H22FNO4/c1-21(2,3)16-5-13(4-14(6-16)10-24)9-23-18-8-15(11-25)7-17(22)20(18)27-12-19(23)26/h4-8,11,24H,9-10,12H2,1-3H3