QX0
Summary
| Name: | 2-(3-cyanoanilino)benzoic acid |
| Formula: | C14 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 238.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-cyanoanilino)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-cyanophenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1Nc1cccc(C#N)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18) |
| InChIKey | InChI | 1.06 | BWUIKGLLPINDDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C#N |
