A1ICE
Summary
| Name: | 4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid |
| Formula: | C16 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 285.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15NO4/c1-20-15-5-3-2-4-14(15)11-21-17-10-12-6-8-13(9-7-12)16(18)19/h2-10H,11H2,1H3,(H,18,19)/b17-10- |
| InChIKey | InChI | 1.06 | ODQLHMZOMGQUQG-YVLHZVERSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CO\N=C/c2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CON=Cc2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1CO/N=C\c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1CON=Cc2ccc(cc2)C(=O)O |
