4EG
Summary
| Name: | methyl (2Z)-3-cyano-3-phenylprop-2-enoate |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2Z)-3-cyano-3-phenylprop-2-enoate |
| OpenEye OEToolkits | 1.9.2 | methyl (Z)-3-cyano-3-phenyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)[C@H]=C(C#N)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
| InChIKey | InChI | 1.03 | GXUWXZSLWMEZET-JXMROGBWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C(/C#N)c1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)C=C(C#N)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)/C=C(\C#N)/c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)C=C(C#N)c1ccccc1 |
