O78
Summary
| Name: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid |
| Formula: | C7 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 139.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-azanylidenecyclohexene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C\C(=N)C=C(C1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6- |
| InChIKey | InChI | 1.03 | QYQCRKOROWCYTP-VURMDHGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CC(=N)CCC1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CC(=N)CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/CCCC(=C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(=CC(=N)C1)C(=O)O |
