basic_info |
|
| Product_Name： | 8-(O-NITROBENZYL)THEOPHYLLINE |
| CAS： | 73908-81-3 |
| EnglishSynonyms： | 8-(O-NITROBENZYL)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01682169 |
| pro_acceptors： | 9 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cc3ccccc3[N+](=O)[O-] |
| InChi： | InChI=1S/C14H13N5O4/c1-17-12-11(13(20)18(2)14(17)21)15-10(16-12)7-8-5-3-4-6-9(8)19(22)23/h3-6H,7H2,1-2H3,(H,15,16) |
| InChiKey： | InChIKey=BPBTWJFRRRBRGJ-UHFFFAOYSA-N |
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