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 |