| SpectraBase Spectrum ID |
8CJesxZSAzI |
| Name |
(3R,4S)-2,2-Dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)chroman-3-ol |
| Alternate Name(s) |
(3R,4S)-2,2-dimethyl-6-nitro-4-(4-phenyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-ol
(3R,4S)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)-3,4-dihydrochromen-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25N3O4 |
| InChI |
InChI=1S/C21H25N3O4/c1-21(2)20(25)19(17-14-16(24(26)27)8-9-18(17)28-21)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h3-9,14,19-20,25H,10-13H2,1-2H3/t19-,20+/m0/s1 |
| InChIKey |
KJORNNHKAXTWNG-VQTJNVASSA-N |
| Literature Reference DOI |
10.5012/bkcs.2011.32.8.2965 |
| Molecular Weight |
383.448 g/mol |
| SMILES |
O[C@]1(C(Oc2ccc(cc2[C@@]1(N1CCN(CC1)c1ccccc1)[H])[N+](=O)[O-])(C)C)[H] |
| SPLASH |
splash10-001i-1902000000-77240c6f8c3dd863a228 |
| Source of Spectrum |
QB-32-2967-1a |
| Wiley ID |
1743672 |
