IU3
Summary
| Name: | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid |
| Formula: | C16 H12 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 324.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12N4O4/c17-10-4-1-3-9(7-10)12-8-20(19-18-12)13-6-2-5-11(15(21)22)14(13)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.06 | DWPDIQGMWFQFRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2cn(nn2)c3cccc(c3C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2cn(nn2)c3cccc(c3C(=O)O)C(=O)O |
