1ZC
Summary
| Name: | (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone |
| Formula: | C10 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 219.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-amino-1,2,5-oxadiazol-3-yl)(3-methoxyphenyl)methanone |
| OpenEye OEToolkits | 1.9.2 | (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(OC)c1)c2nonc2N |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O3/c1-15-7-4-2-3-6(5-7)9(14)8-10(11)13-16-12-8/h2-5H,1H3,(H2,11,13) |
| InChIKey | InChI | 1.03 | SIOKNPJSYPBGMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C(=O)c2nonc2N |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)C(=O)c2nonc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)C(=O)c2c(non2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)C(=O)c2c(non2)N |
