| SpectraBase Spectrum ID |
KURhSmlMS81 |
| Name |
(E)-2-(2-Cyano-2-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-1-(piperidin-1-yl)ethenel)-1,3-dioxoisoindoline-5,6-dicarboxylic acid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H25N7O7 |
| InChI |
InChI=1S/C29H25N7O7/c1-16-23(27(39)36(33(16)2)17-9-5-3-6-10-17)32-31-22(15-30)24(34-11-7-4-8-12-34)35-25(37)18-13-20(28(40)41)21(29(42)43)14-19(18)26(35)38/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,40,41)(H,42,43)/b24-22+,32-31+ |
| InChIKey |
LHDKKDMWZCYWOH-IHPVXRAUSA-N |
| Molecular Weight |
583.561 g/mol |
| SMILES |
OC(c1cc2C(N(C(c2cc1C(=O)O)=O)\C(=C/(\N=N\C=1C(N(c2ccccc2)N(C1C)C)=O)C#N)N1CCCCC1)=O)=O |
| SPLASH |
splash10-0a4i-9430000000-e736a95f66f1cda3c03f |
| Source of Spectrum |
Y-51-1703-18 |
| Synonyms |
(E)-2-(2-Cyano-2-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-1-(piperidin-1-yl)ethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid
2-((E)-2-cyano-2-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid |
| Wiley ID |
1741633 |
