XC4
Summary
| Name: | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole |
| Formula: | C15 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole |
| OpenEye OEToolkits | 2.0.7 | benzotriazol-1-yl 1~{H}-indole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4 |
| InChI | InChI | 1.03 | InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H |
| InChIKey | InChI | 1.03 | YPFWNRLSYPAVJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(On1nnc2ccccc12)c3ccc4[nH]ccc4c3 |
| SMILES | CACTVS | 3.385 | O=C(On1nnc2ccccc12)c3ccc4[nH]ccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4 |
