4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-(4-tert-butylphenyl)oxazol-5-one CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-tert-butylphenyl)-5-oxazolone IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-(4-tert-butylphenyl)-2-oxazolin-5-one Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2

InChI

InChI=1S/C21H18BrNO4/c1-21(2,3)14-6-4-12(5-7-14)19-23-16(20(24)27-19)8-13-9-17-18(10-15(13)22)26-11-25-17/h4-10H,11H2,1-3H3