| Name： | BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER |
| CAS： | 139481-28-0 |
| Synonyms： | METHYL 2-[[(2'-CYANOBIPHENYL-4-YL)METHYL]AMINO]-3-NITROBENZOATE ; BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER |
| MDL.： | MFCD09029084 |
| H bond acceptor： | 7 |
| H bond donor： | 1 |
| Smile： | COC(=O)c1cccc(c1NCc2ccc(cc2)c3ccccc3C#N)[N+](=O)[O-] |
| InChi： | InChI=1S/C22H17N3O4/c1-29-22(26)19-7-4-8-20(25(27)28)21(19)24-14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-23/h2-12,24H,14H2,1H3 |
| InChiKey： | InChIKey=ZIRAEAZVSCADHC-UHFFFAOYSA-N |
BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
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