(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-tert-butylphenyl)-1,3-oxazol-5-one

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-tert-butylphenyl)-1,3-oxazol-5-one Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-2-(4-tert-butylphenyl)oxazol-5-one CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-tert-butylphenyl)-5-oxazolone IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-tert-butylphenyl)-1,3-oxazol-5-one Traditional Name: (4Z)-2-(4-tert-butylphenyl)-4-piperonylidene-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)C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=N/C(=C\C3=CC4=C(C=C3)OCO4)/C(=O)O2

InChI

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