XIW
Summary
| Name: | 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid |
| Synonyms: | 4-[5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl]benzoic acid |
| Formula: | C15 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 280.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-(4-aminophenyl)-2~{H}-1,2,3-triazol-4-yl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12N4O2/c16-12-7-5-10(6-8-12)14-13(17-19-18-14)9-1-3-11(4-2-9)15(20)21/h1-8H,16H2,(H,20,21)(H,17,18,19) |
| InChIKey | InChI | 1.06 | BGIRWVZOLYIMLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2n[nH]nc2c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2n[nH]nc2c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n[nH]n2)c3ccc(cc3)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n[nH]n2)c3ccc(cc3)N)C(=O)O |
