0FN
Summary
| Name: | 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile |
| Formula: | C10 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 171.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile |
| OpenEye OEToolkits | 1.7.6 | 1,3-bis(oxidanylidene)indene-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1ccccc1C(=O)C2C#N |
| InChI | InChI | 1.03 | InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H |
| InChIKey | InChI | 1.03 | GKEKUQYTCADDSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1C(C#N)C(=O)c2ccccc12 |
| SMILES | CACTVS | 3.370 | O=C1C(C#N)C(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C(C2=O)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C(C2=O)C#N |
