65K
Summary
| Name: | 4-carbamimidoylbenzoic acid |
| Formula: | C8 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-carbamimidoylbenzoic acid |
| OpenEye OEToolkits | 2.0.4 | 4-carbamimidoylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(/C(N)=N)cc1)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | OPMDVIDBSGETBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(/c1ccc(cc1)C(=O)O)\N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C(=N)N)C(=O)O |
