A1EDI
Summary
| Name: | 3-(1,3-benzoxazol-6-yloxy)-2-chloranyl-6-nitro-aniline |
| Formula: | C13 H8 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 305.673 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1,3-benzoxazol-6-yloxy)-2-chloranyl-6-nitro-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H8ClN3O4/c14-12-10(4-3-9(13(12)15)17(18)19)21-7-1-2-8-11(5-7)20-6-16-8/h1-6H,15H2 |
| InChIKey | InChI | 1.06 | DCLAHIRHVFGOLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(Cl)c(Oc2ccc3ncoc3c2)ccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Nc1c(Cl)c(Oc2ccc3ncoc3c2)ccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])ocn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])ocn2 |
