Y55
Summary
| Name: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione |
| Formula: | C13 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 243.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione |
| OpenEye OEToolkits | 2.0.6 | 7-(furan-2-yl)-2-oxidanyl-4~{H}-isoquinoline-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2 |
| InChIKey | InChI | 1.03 | FMBJYDTZYGCAIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)Cc2ccc(cc2C1=O)c3occc3 |
| SMILES | CACTVS | 3.385 | ON1C(=O)Cc2ccc(cc2C1=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O |
