2X7
Summary
| Name: | (3E)-3-iminooxepin-2(3H)-one |
| Synonyms: | (4Z,6Z)-3-iminooxepin-2(3H)-one |
| Formula: | C6 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 123.109 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-3-iminooxepin-2(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-azanylideneoxepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OC=CC=CC1=[N@H] |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+ |
| InChIKey | InChI | 1.03 | HQPIXVSGYRVKOL-FNORWQNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N=C1C=CC=COC1=O |
| SMILES | CACTVS | 3.370 | N=C1C=CC=COC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\C=CC=COC1=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CC(=N)C(=O)OC=C1 |
