4AV
Summary
| Name: | 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine |
| Formula: | C8 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 200.622 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine |
| OpenEye OEToolkits | 1.9.2 | 1-(2-chloranyl-5-nitro-phenyl)-N-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1CNC)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3 |
| InChIKey | InChI | 1.03 | YRTNCUPHKWUHMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(ccc1Cl)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CNCc1cc(ccc1Cl)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCc1cc(ccc1Cl)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCc1cc(ccc1Cl)[N+](=O)[O-] |
