FUZ
Summary
| Name: | 2-[(furan-2-ylmethyl)amino]benzoic acid |
| Formula: | C12 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2-[(furan-2-ylmethyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.6.1 | 2-(furan-2-ylmethylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c2c(NCc1occc1)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1ccccc1NCc2occc2 |
| SMILES | CACTVS | 3.352 | OC(=O)c1ccccc1NCc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)NCc2ccco2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)NCc2ccco2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15) |
| InChIKey | InChI | 1.03 | CKOPWCOBXHDAOZ-UHFFFAOYSA-N |
