CX6
Summary
| Name: | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE |
| Formula: | C13 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 247.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6aR)-2,3,6a,7,8,9-hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(OC2N1CCC2)cc4OCCOc4c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1N2CCC[C@H]2Oc3cc4OCCOc4cc13 |
| SMILES | CACTVS | 3.341 | O=C1N2CCC[CH]2Oc3cc4OCCOc4cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(cc3c1OCCO3)OC4CCCN4C2=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | RQEPVMAYUINZRE-GFCCVEGCSA-N |
