3G3
Summary
| Name: | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Formula: | C11 H9 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 243.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 1.5.0 | 2-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)c2ccccc12)CCc3nnnn3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13 |
| SMILES | CACTVS | 3.341 | O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15) |
| InChIKey | InChI | 1.03 | DEOJDUHRJBKATO-UHFFFAOYSA-N |
