HBK
Summary
| Name: | (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one |
| Formula: | C9 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 211.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one |
| OpenEye OEToolkits | 1.7.0 | (2S)-2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(O)c2c(OC1O)cc(OC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2N(O)C(=O)[C@@H](O)Oc2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2N(O)C(=O)[CH](O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)O[C@@H](C(=O)N2O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)OC(C(=O)N2O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | GDNZNIJPBQATCZ-VIFPVBQESA-N |
