2FO
Summary
| Name: | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid |
| Formula: | C7 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 185.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2-azanylidene-3-(3-oxidanylprop-2-enylidene)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])/C(=C/C=C\O)/C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5? |
| InChIKey | InChI | 1.03 | ZJPKQPAJQMTZFR-FLYORBSUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/C=C\C=C(/C(O)=O)C(=N)C(O)=O |
| SMILES | CACTVS | 3.385 | OC=CC=C(C(O)=O)C(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=CO)C=C(C(=N)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=CO)C=C(C(=N)C(=O)O)C(=O)O |
