| PDB CCD ID: | Q2L |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H20 N2 O3 |
| InChI: | InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1 |
| InChIKey: | RHDQEIKBUOYTCY-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccccc1[C@H](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | COc1ccccc1[C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4 | | CACTVS 3.385 | COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | COc1ccccc1C(C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4 |
|
| Name: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole |
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