SU9
Summary
| Name: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE |
| Synonyms: | SU9516 |
| Formula: | C13 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.5.0 | (3Z)-3-(3H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C/1Nc3ccc(OC)cc3C\1=C/c2cncn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2NC(=O)\C(=C/c3[nH]cnc3)c2c1 |
| SMILES | CACTVS | 3.341 | COc1ccc2NC(=O)C(=Cc3[nH]cnc3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4- |
| InChIKey | InChI | 1.03 | QNUKRWAIZMBVCU-WCIBSUBMSA-N |
