A1L7A
Summary
| Name: | (2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid |
| Formula: | C12 H8 F N O5 |
| Formal charge: | 0 |
| Formula weight: | 265.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8FNO5/c1-2-5-14-8-4-3-7(13)6-9(8)19-12(18,10(14)15)11(16)17/h1,3-4,6,18H,5H2,(H,16,17)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | WTUVRXLEVFSMKU-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@]1(O)Oc2cc(F)ccc2N(CC#C)C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)[C]1(O)Oc2cc(F)ccc2N(CC#C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCN1c2ccc(cc2O[C@](C1=O)(C(=O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCN1c2ccc(cc2OC(C1=O)(C(=O)O)O)F |
