EAY
Summary
| Name: | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid |
| Formula: | C7 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 169.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-3-azanylidene-2-oxidanyl-oxepine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N@H]=C1C(C(O)=O)=CC=COC1O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4/c8-5-4(6(9)10)2-1-3-12-7(5)11/h1-3,7-8,11H,(H,9,10)/b8-5+/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | UYPQDLOIVBUHNZ-KBUNYLKBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1OC=CC=C(C(O)=O)C1=N |
| SMILES | CACTVS | 3.385 | O[CH]1OC=CC=C(C(O)=O)C1=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=COC(C(=N)C(=C1)C(=O)O)O |
