O09
Summary
| Name: | (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid |
| Formula: | C10 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 221.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | ({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)acetic acid |
| OpenEye OEToolkits | 1.6.1 | 2-[(E)-(4-carbamimidoylphenyl)methylideneamino]oxyethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)CO\N=C\c1ccc(C(=[N@H])N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=N)c1ccc(cc1)/C=N/OCC(O)=O |
| SMILES | CACTVS | 3.352 | NC(=N)c1ccc(cc1)C=NOCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C=NOCC(=O)O)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O3/c11-10(12)8-3-1-7(2-4-8)5-13-16-6-9(14)15/h1-5H,6H2,(H3,11,12)(H,14,15)/b13-5+ |
| InChIKey | InChI | 1.03 | ZLBUXZJWFUDICQ-WLRTZDKTSA-N |
