B23
Summary
| Name: | 5-(2-NITROPHENYL)-2-FUROIC ACID |
| Formula: | C11 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 233.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(2-nitrophenyl)furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-(2-nitrophenyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2oc(c1c([N+]([O-])=O)cccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,13,14) |
| InChIKey | InChI | 1.03 | XUFDYUSOQQYQRL-UHFFFAOYSA-N |
