2XP
Summary
| Name: | (2Z,4Z)-2-imino-6-oxohex-4-enoic acid |
| Formula: | C6 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 141.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z,4Z)-2-imino-6-oxohex-4-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-2-azanylidene-6-oxidanylidene-hex-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])C/C=C\C=O |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-2,4,7H,3H2,(H,9,10)/b2-1-,7-5- |
| InChIKey | InChI | 1.03 | IZBQCPKKCVTOTK-PQZOIKATSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(=N)C\C=C/C=O |
| SMILES | CACTVS | 3.370 | OC(=O)C(=N)CC=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/C/C=C\C=O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C=CC=O)C(=N)C(=O)O |
