BUX
Summary
| Name: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione |
| Formula: | C13 H6 Cl2 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 325.104 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H6Cl2N2O4/c14-6-2-1-3-7(4-6)16-13-17-11(18)10-8(20-13)5-9(15)21-12(10)19/h1-5H,(H,16,17,18) |
| InChIKey | InChI | 1.03 | YBBCXMKGFBMRLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClC1=CC2=C(C(=O)O1)C(=O)N=C(Nc3cccc(Cl)c3)O2 |
| SMILES | CACTVS | 3.385 | ClC1=CC2=C(C(=O)O1)C(=O)N=C(Nc3cccc(Cl)c3)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl |
