4I8
Summary
| Name: | methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate |
| Formula: | C9 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 193.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12) |
| InChIKey | InChI | 1.03 | FUJBKRLYHYJMNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc2NC(=O)Oc2c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc2NC(=O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc2c(c1)OC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc2c(c1)OC(=O)N2 |
