8SV
Summary
| Name: | 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one |
| Formula: | C10 H12 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 236.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one |
| OpenEye OEToolkits | 2.0.6 | 1,3-dimethyl-5-(methylamino)-6-nitro-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c2c(cc1N(C(=O)N(c1c2)C)C)[N+]([O-])=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4O3/c1-11-6-4-8-9(5-7(6)14(16)17)13(3)10(15)12(8)2/h4-5,11H,1-3H3 |
| InChIKey | InChI | 1.03 | VKEVNWDJJFOSCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc2N(C)C(=O)N(C)c2cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CNc1cc2N(C)C(=O)N(C)c2cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C |
