ATV
Summary
| Name: | 2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Synonyms: | N-(2,3-epoxypropyl)-1,8-naphthalimide |
| Formula: | C15 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 253.253 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C1N(C[C@@H]2CO2)C(=O)c3cccc4cccc1c34 |
| SMILES | CACTVS | 3.352 | O=C1N(C[CH]2CO2)C(=O)c3cccc4cccc1c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC4CO4 |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO3/c17-14-11-5-1-3-9-4-2-6-12(13(9)11)15(18)16(14)7-10-8-19-10/h1-6,10H,7-8H2/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | TVMJTOKZNPCXOO-SNVBAGLBSA-N |
