VCO
Summary
| Name: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate |
| Formula: | C11 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{Z})-2-(azepan-2-ylidene)-2-cyano-ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)C(\C#N)=C1\CCCCCN1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9- |
| InChIKey | InChI | 1.06 | OIIXRHZKCPKQIV-KTKRTIGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)/C(C#N)=C1/CCCCCN1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C(C#N)=C1CCCCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)/C(=C\1/CCCCCN1)/C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(=C1CCCCCN1)C#N |
