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

Systemtic Name: 4-[(3-tert-butyl-5-iodanyl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[(3-tert-butyl-5-iodo-phenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[(3-tert-butyl-5-iodophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[(3-tert-butyl-5-iodophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-(3-tert-butyl-5-iodo-benzyl)-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C20H20INO3 MolecularWeight: 449.28217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20INO3/c1-20(2,3)15-6-14(7-16(21)9-15)10-22-17-8-13(11-23)4-5-18(17)25-12-19(22)24/h4-9,11H,10,12H2,1-3H3