4-[2,4-bis(chloranyl)-3-(3-methyl-3-oxidanyl-oxetan-2-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2,4-bis(chloranyl)-3-(3-methyl-3-oxidanyl-oxetan-2-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2,4-dichloro-3-(3-hydroxy-3-methyl-oxetan-2-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2,4-dichloro-3-(3-hydroxy-3-methyl-2-oxetanyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2,4-dichloro-3-(3-hydroxy-3-methyloxetan-2-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2,4-dichloro-3-(3-hydroxy-3-methyl-oxetan-2-yl)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H16Cl2N2O4 MolecularWeight: 371.21524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Cl)C3C(CO3)(C)O)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Cl)C3C(CO3)(C)O)Cl

InChI

InChI=1S/C16H16Cl2N2O4/c1-3-20-15(22)9(6-19-20)13(21)8-4-5-10(17)11(12(8)18)14-16(2,23)7-24-14/h4-6,14,19,23H,3,7H2,1-2H3