OAI
Summary
| Name: | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID |
| Formula: | C11 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 248.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-[(carboxycarbonyl)amino]-1H-indole-5-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 6-(carboxycarbonylamino)-1H-indole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | AHWMERGBWWROMM-UHFFFAOYSA-N |
