33E
Summary
| Name: | 4-iodo-3-nitrobenzamide |
| Synonyms: | Iniparib |
| Formula: | C7 H5 I N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 292.031 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-iodo-3-nitrobenzamide |
| OpenEye OEToolkits | 1.9.2 | 4-iodanyl-3-nitro-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccc(cc1[N+](=O)[O-])C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11) |
| InChIKey | InChI | 1.03 | MDOJTZQKHMAPBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(I)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(I)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C(=O)N)[N+](=O)[O-])I |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C(=O)N)[N+](=O)[O-])I |
