C7K
Summary
| Name: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid |
| Formula: | C18 H26 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 378.423 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-27-21-18/h11-12,19H,1-10,13H2,(H,23,24) |
| InChIKey | InChI | 1.03 | YPOHVKMXKUSZRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCCCCCCNc1ccc(c2nonc12)[N](=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCCCCCCCNc1ccc(c2nonc12)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O |
