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1-(4-tert-butyl-2-methyl-phenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol
1-(4-tert-butyl-2-methyl-phenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol
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Canonical SMILES:
CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O
Isomeric SMILES
CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O
InChI
InChI=1S/C19H27N3O4/c1-12-9-15(19(4,5)6)7-8-17(12)26-11-16(23)10-21-14(3)18(22(24)25)13(2)20-21/h7-9,16,23H,10-11H2,1-6H3
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- 1,3-dimethyl-8-nitro-9-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]purine-2,6-dione

