JGB
Summary
| Name: | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide |
| Formula: | C10 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+ |
| InChIKey | InChI | 1.03 | USOXQZNJFMKTKJ-XVNBXDOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)/C(=C/c1ccc(O)c(O)c1)C#N |
| SMILES | CACTVS | 3.385 | NC(=O)C(=Cc1ccc(O)c(O)c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=C(C#N)C(=O)N)O)O |
