[2-(5-bromanylpyridin-3-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(5-bromanylpyridin-3-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(5-bromo-3-pyridyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(5-bromo-3-pyridinyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromopyridin-3-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(5-bromo-3-pyridyl)-2-keto-ethyl] ester Formula: C15H10BrNO5 MolecularWeight: 364.1476

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C15H10BrNO5/c16-11-3-10(5-17-6-11)12(18)7-20-15(19)9-1-2-13-14(4-9)22-8-21-13/h1-6H,7-8H2