9XQ
Summary
| Name: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium |
| Formula: | C8 H10 N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 180.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1 |
| InChIKey | InChI | 1.03 | STUCMBRFCQKITK-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=[NH2+])Nc1cccc(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=[NH2+])Nc1cccc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=[NH2+])N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=[NH2+])N)C(=O)O |
