878
Summary
| Name: | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID |
| Synonyms: | NOVO NORDISK A/S COMPOUND |
| Formula: | C9 H6 I N O5 |
| Formal charge: | 0 |
| Formula weight: | 335.052 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(carboxycarbonyl)amino]-5-iodobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(carboxycarbonylamino)-5-iodo-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(c(NC(=O)C(=O)O)cc1)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | SHSWHSQPJKMCPN-UHFFFAOYSA-N |
