tert-butyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: tert-butyl (2E)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,3-benzodioxol-5-yl)acrylic acid tert-butyl ester Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC2=C(C=C1)OCO2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18O5/c1-10(17)12(15(18)21-16(2,3)4)7-11-5-6-13-14(8-11)20-9-19-13/h5-8H,9H2,1-4H3/b12-7+