H5J
Summary
| Name: | 5-nitro-1,2-benzoxazole |
| Formula: | C7 H4 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.118 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-1,2-benzoxazole |
| OpenEye OEToolkits | 2.0.6 | 5-nitro-1,2-benzoxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=N(c2cc1cnoc1cc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H |
| InChIKey | InChI | 1.03 | TWOYWCWKYDYTIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[N](=O)c1ccc2oncc2c1 |
| SMILES | CACTVS | 3.385 | O=[N](=O)c1ccc2oncc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1N(=O)=O)cno2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1N(=O)=O)cno2 |
