NYE
Summary
| Name: | 3-azanylnaphthalene-2-carboxylic acid |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanylnaphthalene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14) |
| InChIKey | InChI | 1.03 | XFXOLBNQYFRSLQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc2ccccc2cc1C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cc2ccccc2cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(c(cc2c1)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(c(cc2c1)C(=O)O)N |
