![4-[(2',4'-Dinotrophenyl)amino]-4-oxo-2-butenoic acid](/api/spectrum/CY8N8QTDCdk/structure.png?h=300&w=458 "4-[(2',4'-Dinotrophenyl)amino]-4-oxo-2-butenoic acid")
| SpectraBase Compound ID | 5IEhhqcb2SH |
|---|---|
| InChI | InChI=1S/C10H7N3O7/c14-9(3-4-10(15)16)11-7-2-1-6(12(17)18)5-8(7)13(19)20/h1-5H,(H,11,14)(H,15,16)/b4-3+ |
| InChIKey | BMZDUNJSKOXSII-ONEGZZNKSA-N |
| Mol Weight | 281.18 g/mol |
| Molecular Formula | C10H7N3O7 |
| Exact Mass | 281.0284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CY8N8QTDCdk |
|---|---|
| Name | 4-[(2',4'-Dinotrophenyl)amino]-4-oxo-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.028399570 u |
| Formula | C10H7N3O7 |
| InChI | InChI=1S/C10H7N3O7/c14-9(3-4-10(15)16)11-7-2-1-6(12(17)18)5-8(7)13(19)20/h1-5H,(H,11,14)(H,15,16)/b4-3+ |
| InChIKey | BMZDUNJSKOXSII-ONEGZZNKSA-N |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1NC(\C=C\C(=O)O)=O |