methyl 6-[(E)-3-oxidanylideneprop-1-enyl]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[(E)-3-oxidanylideneprop-1-enyl]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[(E)-3-oxoprop-1-enyl]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[(E)-3-oxoprop-1-enyl]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(E)-3-oxoprop-1-enyl]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(E)-3-ketoprop-1-enyl]-piperonylic acid methyl ester Formula: C12H10O5 MolecularWeight: 234.2048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1C=CC=O)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1/C=C/C=O)OCO2

InChI

InChI=1S/C12H10O5/c1-15-12(14)9-6-11-10(16-7-17-11)5-8(9)3-2-4-13/h2-6H,7H2,1H3/b3-2+