A1EDE
Summary
| Name: | 2-chloranyl-3-(2,3-dihydro-1~{H}-inden-5-yloxy)-6-nitro-aniline |
| Formula: | C15 H13 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.728 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-3-(2,3-dihydro-1~{H}-inden-5-yloxy)-6-nitro-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H13ClN2O3/c16-14-13(7-6-12(15(14)17)18(19)20)21-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3,17H2 |
| InChIKey | InChI | 1.06 | NFBQKWUHWFXWRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(Cl)c(Oc2ccc3CCCc3c2)ccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Nc1c(Cl)c(Oc2ccc3CCCc3c2)ccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])CCC2 |
