| SpectraBase Spectrum ID |
8MHGz7fu54q |
| Name |
trans-N-methyl-3-(p-nitrophenyl)-4-carboxy-3,4-di-hydro-1(2H)-isoquinolone |
| Alternate Name(s) |
(3S,4S)-2-methyl-3-(4-nitrophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14N2O5 |
| InChI |
InChI=1S/C17H14N2O5/c1-18-15(10-6-8-11(9-7-10)19(23)24)14(17(21)22)12-4-2-3-5-13(12)16(18)20/h2-9,14-15H,1H3,(H,21,22)/t14-,15+/m0/s1 |
| InChIKey |
RDSOKIFMMJNGRI-LSDHHAIUSA-N |
| Molecular Weight |
326.308 g/mol |
| SMILES |
OC([C@@]1([C@](N(C(c2ccccc12)=O)C)(c1ccc(N(=O)=O)cc1)[H])[H])=O |
| SPLASH |
splash10-02ai-2910000000-346ae6c6066f249d2a9a |
| Source of Spectrum |
J-52-912-9 |
| Wiley ID |
1324629 |
