basic_info |
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Product_Name: | BENZONITRILE, 4-[[(4-METHOXYPHENYL)METHYL]AMINO]-3-NITRO- |
CAS: | 1153798-02-7 |
EnglishSynonyms: | BENZONITRILE, 4-[[(4-METHOXYPHENYL)METHYL]AMINO]-3-NITRO- |
pro_mdlNumber: | MFCD13680233 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_smile: | COc1ccc(cc1)CNc2ccc(cc2[N+](=O)[O-])C#N |
InChi: | InChI=1S/C15H13N3O3/c1-21-13-5-2-11(3-6-13)10-17-14-7-4-12(9-16)8-15(14)18(19)20/h2-8,17H,10H2,1H3 |
InChiKey: | InChIKey=CGHDIGQMBSRDQQ-UHFFFAOYSA-N |
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