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

Systemtic Name: methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,3-benzodioxol-5-yl)acrylic acid methyl ester Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O5/c1-8(14)10(13(15)16-2)5-9-3-4-11-12(6-9)18-7-17-11/h3-6H,7H2,1-2H3/b10-5+