UFI
Summary
Name: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
Formula: | C13 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 243.215 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3 |
InChIKey | InChI | 1.06 | JNZJPCRGQNFNFC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=O)N(O)C(=O)c3cccc1c23 |
SMILES | CACTVS | 3.385 | COc1ccc2C(=O)N(O)C(=O)c3cccc1c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c3c1cccc3C(=O)N(C2=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c3c1cccc3C(=O)N(C2=O)O |