4D3
Summary
| Name: | methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate |
| Formula: | C11 H8 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 205.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.9.2 | methyl (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)[C@H]=C(C#N)c1ccc(cc1)F |
| InChI | InChI | 1.03 | InChI=1S/C11H8FNO2/c1-15-11(14)6-9(7-13)8-2-4-10(12)5-3-8/h2-6H,1H3/b9-6+ |
| InChIKey | InChI | 1.03 | SKAOSLYCNKRRPS-RMKNXTFCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C(/C#N)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)C=C(C#N)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)/C=C(\C#N)/c1ccc(cc1)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)C=C(C#N)c1ccc(cc1)F |
