(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H17BrN2O5/c1-2-5-20-16(21)4-3-13(19-20)17(22)25-10-11-8-14-15(9-12(11)18)24-7-6-23-14/h3-4,8-9H,2,5-7,10H2,1H3