KKG
Summary
| Name: | (4-oxoquinazolin-3(4H)-yl)acetic acid |
| Formula: | C10 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-oxoquinazolin-3(4H)-yl)acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(4-oxidanylidenequinazolin-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CN1C=Nc2c(C1=O)cccc2)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14) |
| InChIKey | InChI | 1.03 | BBBICQPTZBHLBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1C=Nc2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)CN1C=Nc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O |
