(6-bromanyl-1,3-benzodioxol-5-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C13H11BrN2O5 MolecularWeight: 355.14084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H11BrN2O5/c14-8-4-11-10(20-6-21-11)3-7(8)5-19-13(18)9-1-2-12(17)16-15-9/h3-4H,1-2,5-6H2,(H,16,17)