ALR
Summary
| Name: | ALRESTATIN |
| Formula: | C14 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 255.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 |
| SMILES | CACTVS | 3.341 | OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17) |
| InChIKey | InChI | 1.03 | GCUCIFQCGJIRNT-UHFFFAOYSA-N |
