(4-propan-2-ylphenyl)methyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: (4-isopropylphenyl)methyl 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzoate CAS Name: 2-(4,5-dichloro-6-oxo-1-pyridazinyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate Traditional Name: 2-(4,5-dichloro-6-keto-pyridazin-1-yl)benzoic acid (4-isopropylbenzyl) ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-13(2)15-9-7-14(8-10-15)12-28-21(27)16-5-3-4-6-18(16)25-20(26)19(23)17(22)11-24-25/h3-11,13H,12H2,1-2H3