I1Y
Summary
| Name: | {[(2,4-difluorophenyl)methyl]amino}(oxo)acetic acid |
| Formula: | C9 H7 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 215.154 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(2,4-difluorophenyl)methyl]amino}(oxo)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[[2,4-bis(fluoranyl)phenyl]methylamino]-2-oxidanylidene-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(F)ccc1CNC(=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H7F2NO3/c10-6-2-1-5(7(11)3-6)4-12-8(13)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | YQDORBOSJQHAGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)NCc1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)NCc1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CNC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CNC(=O)C(=O)O |
