TJD
Summary
| Name: | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate |
| 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 | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-oxidanylidene-1~{H}-quinazoline-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2=C(C(=O)OC)c1c(cccc1)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14) |
| InChIKey | InChI | 1.03 | LUWXFZYTFMIZSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=NC(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)C1=NC(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=NC(=O)Nc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=NC(=O)Nc2c1cccc2 |
