7X9
Summary
| Name: | (12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid |
| Formula: | C14 H12 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 261.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | DPSPPJIUMHPXMA-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCc2cc(cc3c2N1C=C(C3=O)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCc2cc(cc3c2N1C=C(C3=O)C(=O)O)F |
