V92
Summary
| Name: | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile |
| Formula: | C10 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 186.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanyl-2-oxidanylidene-1~{H}-quinoline-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC=1c2ccccc2NC(=O)C=1C#N |
| InChI | InChI | 1.06 | InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14) |
| InChIKey | InChI | 1.06 | CRRUFISVDCIBAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(C#N)C(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC1=C(C#N)C(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=C(C(=O)N2)C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=C(C(=O)N2)C#N)O |
