5-(1,3-benzodioxol-5-ylmethoxy)-2-tert-butyl-4-chloranyl-pyridazin-3-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethoxy)-2-tert-butyl-4-chloranyl-pyridazin-3-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethoxy)-2-tert-butyl-4-chloro-pyridazin-3-one CAS Name: 5-(1,3-benzodioxol-5-ylmethoxy)-2-tert-butyl-4-chloro-3-pyridazinone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethoxy)-2-tert-butyl-4-chloropyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-piperonyloxy-pyridazin-3-one Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-16(2,3)19-15(20)14(17)13(7-18-19)21-8-10-4-5-11-12(6-10)23-9-22-11/h4-7H,8-9H2,1-3H3