QUI
Summary
Name: | 2-CARBOXYQUINOXALINE |
Formula: | C9 H6 N2 O2 |
Formal charge: | 0 |
Formula weight: | 174.156 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | quinoxaline-2-carboxylic acid |
OpenEye OEToolkits | 1.5.0 | quinoxaline-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1nc2ccccc2nc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cnc2ccccc2n1 |
SMILES | CACTVS | 3.341 | OC(=O)c1cnc2ccccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncc(n2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncc(n2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13) |
InChIKey | InChI | 1.03 | UPUZGXILYFKSGE-UHFFFAOYSA-N |