pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenyl)peroxycarbonyl-benzoate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenyl)peroxycarbonyl-benzoate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenyl)peroxycarbonyl-benzoate CAS Name: 2-chloro-5-[(2-cyclopropyl-6-methylphenyl)dioxy-oxomethyl]benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenyl)peroxycarbonylbenzoate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenyl)peroxycarbonyl-benzoic acid pyridazin-4-yl ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OOC(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OOC(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C22H17ClN2O5/c1-13-3-2-4-17(14-5-6-14)20(13)29-30-21(26)15-7-8-19(23)18(11-15)22(27)28-16-9-10-24-25-12-16/h2-4,7-12,14H,5-6H2,1H3