80R
Summary
| Name: | 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one |
| Formula: | C13 H9 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.689 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClN4O3/c14-9-6-8(18(20)21)2-4-10(9)15-7-1-3-11-12(5-7)17-13(19)16-11/h1-6,15H,(H2,16,17,19) |
| InChIKey | InChI | 1.03 | LBXJVISQYZQJLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Nc2ccc3NC(=O)Nc3c2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Nc2ccc3NC(=O)Nc3c2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2 |
