| SpectraBase Spectrum ID |
CKWcoqNrTOr |
| Name |
Ethyl 2-[N-(cyano)(ethoxy)(ethoxycarbonyl)methyl]-amino-4,6-dinitrobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.107378167 u |
| Formula |
C16H18N4O9 |
| InChI |
InChI=1S/C16H18N4O9/c1-4-27-14(21)13-11(7-10(19(23)24)8-12(13)20(25)26)18-16(9-17,29-6-3)15(22)28-5-2/h7-8,18H,4-6H2,1-3H3 |
| InChIKey |
XAJLLZUVTSHUQT-UHFFFAOYSA-N |
| Molecular Weight |
410.339 g/mol |
| SMILES |
C1(=C(C(NC(C(=O)OCC)(C#N)OCC)=CC(N(=O)=O)=C1)C(=O)OCC)N(=O)=O |
![Ethyl 2-[N-(cyano)(ethoxy)(ethoxycarbonyl)methyl]-amino-4,6-dinitrobenzoate](/api/spectrum/CKWcoqNrTOr/structure.png?h=300&w=458 "Ethyl 2-[N-(cyano)(ethoxy)(ethoxycarbonyl)methyl]-amino-4,6-dinitrobenzoate")
