![4-{[(2E)-2-cyano-3-(3-pyridinyl)-2-propenoyl]amino}benzoic acid](/api/spectrum/HTPjdQJOR9G/structure.png?h=300&w=458 "4-{[(2E)-2-cyano-3-(3-pyridinyl)-2-propenoyl]amino}benzoic acid")
| SpectraBase Compound ID | KDawQa80fkv |
|---|---|
| InChI | InChI=1S/C16H11N3O3/c17-9-13(8-11-2-1-7-18-10-11)15(20)19-14-5-3-12(4-6-14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)/b13-8+ |
| InChIKey | WOWBKVXIHISDAT-MDWZMJQESA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C16H11N3O3 |
| Exact Mass | 293.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTPjdQJOR9G |
|---|---|
| Name | 4-{[(2E)-2-cyano-3-(3-pyridinyl)-2-propenoyl]amino}benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.080041223 u |
| Formula | C16H11N3O3 |
| InChI | InChI=1S/C16H11N3O3/c17-9-13(8-11-2-1-7-18-10-11)15(20)19-14-5-3-12(4-6-14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)/b13-8+ |
| InChIKey | WOWBKVXIHISDAT-MDWZMJQESA-N |
| SMILES | N(C(\C(=C\C=1C=NC=CC1)C#N)=O)C1=CC=C(C(=O)O)C=C1 |