PXE
Summary
| Name: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime |
| Synonyms: | (E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one |
| OpenEye OEToolkits | 1.7.0 | 4-hydroxyimino-5-methyl-2-propan-2-yl-cyclohexa-2,5-dien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(\C(=N\O)C=C1C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C1=C\C(=N/O)C(=CC1=O)C |
| SMILES | CACTVS | 3.370 | CC(C)C1=CC(=NO)C(=CC1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)C(=CC1=NO)C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)C(=CC1=NO)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+ |
| InChIKey | InChI | 1.03 | LFDOSYRMCCGDBT-PKNBQFBNSA-N |
