747
Summary
| Name: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one |
| Formula: | C12 H9 F2 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 281.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one |
| OpenEye OEToolkits | 2.0.5 | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-hydroxyiminomethyl]-3-methyl-imidazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2cc([C@H]=C1C(=O)N(C(=N1)\C=N\O)C)cc(c2O)F |
| InChI | InChI | 1.03 | InChI=1S/C12H9F2N3O3/c1-17-10(5-15-20)16-9(12(17)19)4-6-2-7(13)11(18)8(14)3-6/h2-5,18,20H,1H3/b9-4-,15-5+ |
| InChIKey | InChI | 1.03 | MZFHSQVSFUWKDU-TUUOAFJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)\C(=C\c2cc(F)c(O)c(F)c2)N=C1\C=N\O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=NO |
