basic_info |
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| Product_Name: | 3-[(4-NITRO-1H-2LAMBDA5-PYRAZOL-2-YL)ACETYL]-4A,5,6,7,8,8A-HEXAHYDRO-2H-CHROMEN-2-ONE |
| EnglishSynonyms: | 3-[(4-NITRO-1H-2LAMBDA5-PYRAZOL-2-YL)ACETYL]-4A,5,6,7,8,8A-HEXAHYDRO-2H-CHROMEN-2-ONE |
| pro_mdlNumber: | MFCD16876123 |
| pro_acceptors: | 8 |
| pro_donors: | 0 |
| pro_smile: | [O-][N+](=O)C1=CN(CC(=O)C2=CC3CCCCC3OC2=O)N=C1 |
| InChi: | InChI=1S/C14H15N3O5/c18-12(8-16-7-10(6-15-16)17(20)21)11-5-9-3-1-2-4-13(9)22-14(11)19/h5-7,9,13H,1-4,8H2 |
| InChiKey: | InChIKey=CWSYBSUSOJVGEH-UHFFFAOYSA-N |
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