ZRE
Summary
| Name: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
| Formula: | C10 H8 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc2CCC(=O)Nc2cc1F |
| InChI | InChI | 1.06 | InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | SAJMBBKTNYDWGD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc2CCC(=O)Nc2cc1F |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc2CCC(=O)Nc2cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1C(=O)O)F)NC(=O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1C(=O)O)F)NC(=O)CC2 |
