A1E2Y
Summary
| Name: | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea |
| Formula: | C10 H18 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.722 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+ |
| InChIKey | InChI | 1.06 | FVLVBPDQNARYJU-DTORHVGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH](CC1)NC(=O)N(CCCl)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
