A1D48
Summary
| Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
| Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one |
| Formula: | C16 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 277.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- |
| InChIKey | InChI | 1.06 | SDUHFKYEVPUWDL-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2NC(=O)\C(=C/c3ccc4[nH]cnc4c3)c12 |
| SMILES | CACTVS | 3.385 | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)O)/C(=C/c3ccc4c(c3)nc[nH]4)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)O)C(=Cc3ccc4c(c3)nc[nH]4)C(=O)N2 |
