TJY
Summary
| Name: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid |
| Formula: | C9 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 190.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidene-1~{H}-quinazoline-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N=C(C(=O)O)c1c(cccc1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14) |
| InChIKey | InChI | 1.03 | JMRRYHBZGAQICA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=NC(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=NC(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NC(=O)N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NC(=O)N2)C(=O)O |
