3QM
Summary
| Name: | [(2R)-2-nitrosopropyl]benzene |
| Synonyms: | 2-nitroso-1-phenylpropane |
| Formula: | C9 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 149.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-nitrosopropyl]benzene |
| OpenEye OEToolkits | 1.9.2 | [(2R)-2-nitrosopropyl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=NC(Cc1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | JNWJQOCPCZKSQI-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1ccccc1)N=O |
| SMILES | CACTVS | 3.385 | C[CH](Cc1ccccc1)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H](Cc1ccccc1)N=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(Cc1ccccc1)N=O |
