LVB
Summary
| Name: | 3-deoxytolcapone |
| Formula: | C14 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 257.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-methylphenyl)-(3-nitro-4-oxidanyl-phenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11NO4/c1-9-2-4-10(5-3-9)14(17)11-6-7-13(16)12(8-11)15(18)19/h2-8,16H,1H3 |
| InChIKey | InChI | 1.03 | OYCADSVKEVKERJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O |
