KU1
Summary
| Name: | N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine |
| Formula: | C11 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 247.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-oxidanylidene-1~{H}-cinnolin-3-yl)carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O4/c15-8(16)5-12-11(18)9-10(17)6-3-1-2-4-7(6)13-14-9/h1-4H,5H2,(H,12,18)(H,13,17)(H,15,16) |
| InChIKey | InChI | 1.03 | WSQQFPKJCSYPLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)C1=NNc2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)C1=NNc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O |
