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

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(1,3-benzodioxol-5-yl)-4-(4-tert-butylbenzylidene)-2-oxazolin-5-one Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO4/c1-21(2,3)15-7-4-13(5-8-15)10-16-20(23)26-19(22-16)14-6-9-17-18(11-14)25-12-24-17/h4-11H,12H2,1-3H3/b16-10+