A1EDF
Summary
| Name: | 2-chloranyl-3-(3-ethylphenoxy)-6-nitro-aniline |
| Formula: | C14 H13 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 292.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-3-(3-ethylphenoxy)-6-nitro-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13ClN2O3/c1-2-9-4-3-5-10(8-9)20-12-7-6-11(17(18)19)14(16)13(12)15/h3-8H,2,16H2,1H3 |
| InChIKey | InChI | 1.06 | DAZMDYLJUGRYLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(Oc2ccc(c(N)c2Cl)[N+]([O-])=O)c1 |
| SMILES | CACTVS | 3.385 | CCc1cccc(Oc2ccc(c(N)c2Cl)[N+]([O-])=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-] |
