A1ABR
Summary
| Name: | (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile |
| Formula: | C10 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-4-oxidanylidene-2,3-dihydrochromene-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2ccccc2OCC1C#N |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,7H,6H2/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | MZZVBVGLGSXYBA-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1[C@@H](COc2ccccc12)C#N |
| SMILES | CACTVS | 3.385 | O=C1[CH](COc2ccccc12)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)[C@@H](CO2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)C(CO2)C#N |
