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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-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 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H19BrN2O5/c1-2-3-6-21-17(22)5-4-14(20-21)18(23)26-11-12-9-15-16(10-13(12)19)25-8-7-24-15/h4-5,9-10H,2-3,6-8,11H2,1H3