PJL
Summary
| Name: | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid |
| Formula: | C6 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 157.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+ |
| InChIKey | InChI | 1.03 | FVWUPCWGBLBUEE-JKEDICHKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\C=C\C(=O)N=CCC(O)=O |
| SMILES | CACTVS | 3.385 | OC=CC(=O)N=CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(/C=N/C(=O)/C=C/O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C=NC(=O)C=CO)C(=O)O |
