A1IC9
Summary
| Name: | 2-[(~{E})-[2-(trifluoromethyl)phenyl]methoxyiminomethyl]benzoic acid |
| Formula: | C16 H12 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 323.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(~{E})-[2-(trifluoromethyl)phenyl]methoxyiminomethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12F3NO3/c17-16(18,19)14-8-4-2-6-12(14)10-23-20-9-11-5-1-3-7-13(11)15(21)22/h1-9H,10H2,(H,21,22)/b20-9+ |
| InChIKey | InChI | 1.06 | ADUIAKGKEUWNAN-AWQFTUOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1/C=N/OCc2ccccc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C=NOCc2ccccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CO/N=C/c2ccccc2C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CON=Cc2ccccc2C(=O)O)C(F)(F)F |
