3QV
Summary
| Name: | 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile |
| Formula: | C10 H5 N O3 |
| Formal charge: | 0 |
| Formula weight: | 187.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile |
| OpenEye OEToolkits | 1.7.0 | 7-hydroxy-2-oxo-chromene-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1=Cc2c(OC1=O)cc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2C=C(C#N)C(=O)Oc2c1 |
| SMILES | CACTVS | 3.370 | Oc1ccc2C=C(C#N)C(=O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)OC(=O)C(=C2)C#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)OC(=O)C(=C2)C#N |
| InChI | InChI | 1.03 | InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H |
| InChIKey | InChI | 1.03 | IJQYTHQDUDCJEQ-UHFFFAOYSA-N |
