RXA
Summary
| Name: | isoquinoline-1,3,4(2H)-trione |
| Formula: | C9 H5 N O3 |
| Formal charge: | 0 |
| Formula weight: | 175.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | isoquinoline-1,3,4(2H)-trione |
| OpenEye OEToolkits | 1.5.0 | isoquinoline-1,3,4-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C(=O)C(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NC(=O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.341 | O=C1NC(=O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13) |
| InChIKey | InChI | 1.03 | YIOFGHHAURBGSJ-UHFFFAOYSA-N |
