GID
Summary
| Name: | 5-nitro-1H-indole-2-carboxylic acid |
| Formula: | C9 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-nitro-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13) |
| InChIKey | InChI | 1.03 | LHFOJSCXLFKDIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(cc2c1)[N](=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(cc2c1)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N(=O)=O)cc([nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N(=O)=O)cc([nH]2)C(=O)O |
