J3R
Summary
| Name: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid |
| Formula: | C10 H10 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 266.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10N4O5/c1-13(5-4-8(15)16)6-2-3-7(14(17)18)10-9(6)11-19-12-10/h2-3H,4-5H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | SPMMNZGTRNFEDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCC(O)=O)c1ccc(c2nonc12)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CN(CCC(O)=O)c1ccc(c2nonc12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-] |
