JYZ
Summary
| Name: | (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
| Formula: | C17 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 310.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O4/c1-23-16-9-11(6-7-15(16)21)8-12(10-18)17(22)19-13-4-2-3-5-14(13)20/h2-9,20-21H,1H3,(H,19,22)/b12-8+ |
| InChIKey | InChI | 1.03 | UJFGQFJVAPMCHZ-XYOKQWHBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2ccccc2O |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O |
